In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 16 | 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) | 3.25 | 4.15 | -50.15 | 4 | 3 | 1 | 57 | 227.372 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 4.22 | -7.03 | 3 | 3 | 0 | 55 | 226.364 | 6 | ↓ |