In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 33 | No |
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) | 4.24 | 10.54 | -14.25 | 2 | 8 | 0 | 115 | 444.422 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.24 | 11.32 | -51.02 | 1 | 8 | -1 | 118 | 443.414 | 5 | ↓ |