| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 27 | Yes |
Popular Name: 2-[[(4R)-2-chloro-4H-purin-6-yl]amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone 2-[[(4R)-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) | 1.13 | 3.03 | -36.39 | 0 | 8 | -1 | 87 | 388.814 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 3.53 | -17.8 | 1 | 8 | 0 | 85 | 389.822 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
