In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | 2.69 | 3.36 | -4.58 | 2 | 4 | 0 | 48 | 276.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 5.68 | -34.68 | 3 | 4 | 1 | 49 | 277.388 | 3 | ↓ |