In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 22 | 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) | 4.39 | 9.79 | -13.18 | 2 | 3 | 0 | 43 | 287.366 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 10.21 | -27.54 | 3 | 3 | 1 | 45 | 288.374 | 2 | ↓ |