In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 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) | 0.37 | 2.5 | -46.36 | 3 | 4 | 1 | 59 | 166.204 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.37 | 1.04 | -14.27 | 2 | 4 | 0 | 54 | 165.196 | 3 | ↓ |