In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2009 | 11 | 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) | 0.05 | 4.36 | -57.43 | 2 | 4 | 0 | 70 | 152.153 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.05 | 3.96 | -57.47 | 1 | 4 | -1 | 69 | 151.145 | 2 | ↓ |