In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | 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) | 0.87 | 6.77 | -95.2 | 3 | 4 | 2 | 41 | 253.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 4.51 | -42.97 | 2 | 4 | 1 | 40 | 252.382 | 4 | ↓ |