In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 39 | 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) | 2.44 | 9.86 | -55.4 | 4 | 9 | 1 | 121 | 527.649 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 10.29 | -113.14 | 5 | 9 | 2 | 122 | 528.657 | 5 | ↓ |