In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2009 | 38 | 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) | 2.98 | 7.72 | -45.56 | 0 | 9 | -1 | 101 | 521.59 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 10.12 | -56.91 | 1 | 9 | 0 | 102 | 522.598 | 11 | ↓ |