In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 13 | 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) | 2.58 | 5.29 | -45.12 | 1 | 3 | -1 | 60 | 187.259 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 3.31 | -7.55 | 2 | 3 | 0 | 58 | 188.267 | 7 | ↓ |