| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2011 | 31 | Yes |
Popular Name: Sisomicin sulfate Sisomicin sulfate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53179-09-2 , [53179-09-2]
| 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) | -4.69 | -8.49 | -268.53 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -10.91 | -42.83 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -10.88 | -50 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -11.2 | -7.89 | 12 | 12 | 0 | 214 | 447.533 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -8.83 | -417.7 | 17 | 12 | 5 | 225 | 452.573 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -9.23 | -311.1 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.