In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 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) | 2.17 | 9.22 | -47.16 | 1 | 4 | 1 | 41 | 274.388 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 7.02 | -9.59 | 0 | 4 | 0 | 40 | 273.38 | 6 | ↓ |