In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2010 | 33 | 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) | 0.28 | 4.64 | -54.78 | 5 | 11 | 1 | 142 | 456.527 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 4.35 | -13.21 | 4 | 11 | 0 | 141 | 455.519 | 7 | ↓ |