In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2006 | 12 | 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) | -0.49 | -1.13 | -35.89 | 3 | 4 | 1 | 54 | 176.236 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.49 | -3.54 | -6.93 | 2 | 4 | 0 | 53 | 175.228 | 1 | ↓ |