In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 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) | 3.05 | 8.3 | -34.74 | 2 | 2 | 1 | 16 | 245.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 9.35 | -115.12 | 3 | 2 | 2 | 21 | 246.398 | 4 | ↓ |