In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 20 | 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) | 1.83 | 6.49 | -47.5 | 2 | 4 | 1 | 58 | 273.356 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 4.45 | -14.32 | 1 | 4 | 0 | 56 | 272.348 | 5 | ↓ |