| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 28 | Yes |
Popular Name: Heliomycin Heliomycin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 11029-70-2 20004-62-0 , 20004-62-0
20004-62-0; C12080; Resistomycin
3,5,7,10-Tetrahydroxy-1,1,9-trimethyl-1H-benzo[cd]pyrene-2,6-dione
3,5,7,10-tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6(1H)-dione
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.74 | 4.12 | -16.76 | 4 | 6 | 0 | 115 | 376.364 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 5.13 | -66.02 | 3 | 6 | -1 | 118 | 375.356 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.4 | -123 | 1 | 6 | -2 | 118 | 374.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.41 | -103.29 | 1 | 6 | -2 | 118 | 374.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 6.16 | -123.64 | 2 | 6 | -2 | 121 | 374.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 5.14 | -62.97 | 3 | 6 | -1 | 118 | 375.356 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 8.41 | -223.43 | 0 | 6 | -3 | 120 | 373.34 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.41 | -124.48 | 1 | 6 | -2 | 118 | 374.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.43 | -104.74 | 1 | 6 | -2 | 118 | 374.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 8.4 | -223.42 | 0 | 6 | -3 | 120 | 373.34 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 6.41 | -50.45 | 2 | 6 | -1 | 115 | 375.356 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 6.43 | -53.93 | 2 | 6 | -1 | 115 | 375.356 | 0 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 6.37 | -163.44 | 2 | 6 | -2 | 121 | 374.348 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Anti-HIV | IBScreen Bioactives |
| biological_use | Antibiotic | IBScreen Bioactives IBScreen Bioactives |
| biological_source | Constit. of the mycelium of Streptomyces resistomycificius and other Streptomyces spp. | ZereneX Building Blocks |
| mechanism | HIV Protease Inhibitor | IBScreen Bioactives |
| mechanism | RNA polymerase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Shows activity against gram-positive and mycobacteria | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.