In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.67 | 8.84 | -98.2 | 4 | 3 | 2 | 45 | 287.382 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 8.43 | -50.59 | 3 | 3 | 1 | 44 | 286.374 | 4 | ↓ |