In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | No |
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) | 1.38 | 7.66 | -40.68 | 1 | 4 | 0 | 58 | 238.312 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 7.37 | -47.57 | 0 | 4 | -1 | 56 | 237.304 | 2 | ↓ |