In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 11 | 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) | -0.96 | 4.31 | -33.11 | 1 | 4 | 0 | 54 | 161.201 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.96 | 2.02 | -46.5 | 0 | 4 | -1 | 53 | 160.193 | 6 | ↓ |