In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 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) | 2.03 | 5.34 | -40.31 | 1 | 3 | -1 | 60 | 187.259 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 3.36 | -4.18 | 2 | 3 | 0 | 58 | 188.267 | 6 | ↓ |