In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 22 | 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) | 4.04 | 7.14 | -50.86 | 0 | 4 | -1 | 53 | 286.314 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 6.42 | -9.84 | 1 | 4 | 0 | 50 | 287.322 | 2 | ↓ |