In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 27 | 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) | 2.26 | 9.09 | -17.32 | 1 | 8 | 0 | 91 | 369.425 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 9.38 | -37.09 | 2 | 8 | 1 | 96 | 370.433 | 4 | ↓ |