In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 12 | 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) | -1.38 | -3.75 | -42.91 | 4 | 4 | 1 | 60 | 175.252 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.38 | -1.48 | -102.24 | 5 | 4 | 2 | 62 | 176.26 | 4 | ↓ |