In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 21 | 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) | 3.76 | 7.12 | -11.5 | 0 | 4 | 0 | 52 | 273.295 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 7.68 | -34.02 | 1 | 4 | 1 | 53 | 274.303 | 2 | ↓ |