In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 17 | 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) | 2.74 | 5.63 | -55.98 | 1 | 4 | -1 | 65 | 230.243 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 4.52 | -10.54 | 2 | 4 | 0 | 62 | 231.251 | 4 | ↓ |