In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 14 | 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) | 0.72 | 1.31 | -38.37 | 4 | 3 | 1 | 57 | 196.27 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 1.05 | -6.18 | 3 | 3 | 0 | 55 | 195.262 | 4 | ↓ |