In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 18 | 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) | 4.94 | 9.36 | -2.31 | 1 | 2 | 0 | 21 | 245.366 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.94 | 9.09 | -26.96 | 2 | 2 | 1 | 26 | 246.374 | 6 | ↓ |