In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | 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) | 0.93 | 4.97 | -49.09 | 3 | 3 | 1 | 44 | 224.353 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 5.39 | -104.57 | 4 | 3 | 2 | 45 | 225.361 | 2 | ↓ |