In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 30 | 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) | 1.05 | 4.97 | -77.34 | 1 | 7 | 0 | 82 | 427.526 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.05 | 4.8 | -59.22 | 2 | 7 | 1 | 80 | 428.534 | 2 | ↓ |