| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 27 | Yes |
Popular Name: 1-(4-benzyl-1-piperidyl)-2-[[(4S)-2-chloro-4H-purin-6-yl]amino]ethanone 1-(4-benzyl-1-piperidyl)-2-[[(4S…
| 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) | 1.95 | 5.05 | -37.28 | 0 | 7 | -1 | 84 | 383.863 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 5.57 | -16.09 | 1 | 7 | 0 | 82 | 384.871 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
