| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 24 | No |
Popular Name: (5aS,11aR)-2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione (5aS,11aR)-2,3-dichloro-1,4-dihy…
| 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) | 4.01 | 8.39 | -40.59 | 1 | 4 | -1 | 77 | 362.188 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.38 | -110.69 | 0 | 4 | -2 | 80 | 361.18 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.63 | -107.98 | 0 | 4 | -2 | 80 | 361.18 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.63 | -107.95 | 0 | 4 | -2 | 80 | 361.18 | 0 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 7.4 | -7.72 | 2 | 4 | 0 | 75 | 363.196 | 0 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 7.64 | -6.37 | 2 | 4 | 0 | 75 | 363.196 | 0 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 7.63 | -7.33 | 2 | 4 | 0 | 75 | 363.196 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
