| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 24 | No |
Popular Name: 1-[(2S)-3-acetyl-2,4-dimethyl-2H-pyrrol-5-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone 1-[(2S)-3-acetyl-2,4-dimethyl-2H…
| 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) | 2.26 | 7.75 | -12.58 | 0 | 5 | 0 | 64 | 341.436 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 8.66 | -43.01 | 1 | 5 | 1 | 66 | 342.444 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 9.12 | -96.73 | 2 | 5 | 2 | 67 | 343.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
