In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2009 | 31 | Yes |
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) | 0.95 | 8.28 | -18.6 | 0 | 7 | 0 | 58 | 428.508 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 10.54 | -53.5 | 1 | 7 | 1 | 59 | 429.516 | 4 | ↓ |