In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | 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) | -0.28 | 4.38 | -47.46 | 3 | 5 | 1 | 60 | 222.316 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 6.18 | -118.89 | 4 | 5 | 2 | 61 | 223.324 | 3 | ↓ |