| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 29 | Yes |
Popular Name: 3-[[(4S)-2-chloro-4H-purin-6-yl]amino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one 3-[[(4S)-2-chloro-4H-purin-6-yl]…
| 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) | 1.24 | 3.37 | -39.34 | 0 | 9 | -1 | 96 | 414.877 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 3.89 | -11.86 | 1 | 9 | 0 | 94 | 415.885 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
