| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 31 | Yes |
Popular Name: Sisomicin Sisomicin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 32385-11-8 , [32385-11-8]
| 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 | -9.88 | -281.08 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -11.58 | -120.39 | 14 | 12 | 2 | 217 | 449.549 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -11.74 | -42.21 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -11.96 | -50.36 | 13 | 12 | 1 | 215 | 448.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -12.25 | -8.32 | 12 | 12 | 0 | 214 | 447.533 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -8.94 | -419.26 | 17 | 12 | 5 | 225 | 452.573 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.69 | -9.37 | -279.47 | 16 | 12 | 4 | 223 | 451.565 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.