In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 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) | 1.29 | 7.73 | -40.46 | 1 | 4 | 1 | 28 | 274.388 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 5.49 | -8.65 | 0 | 4 | 0 | 27 | 273.38 | 2 | ↓ |