In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 12 | 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) | -1.38 | 1.12 | -53.84 | 3 | 4 | 1 | 65 | 169.204 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.38 | 0.79 | -7.56 | 2 | 4 | 0 | 63 | 168.196 | 1 | ↓ |