| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 22 | Yes |
Popular Name: (2S)-N-(cyclohexylmethyl)-2-(9H-purin-6-ylsulfanyl)propanamide (2S)-N-(cyclohexylmethyl)-2-(9H-…
| 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) | 2.30 | 7.93 | -14.96 | 2 | 6 | 0 | 84 | 319.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 7.45 | -42.45 | 1 | 6 | -1 | 82 | 318.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
