In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 16 | 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) | 1.87 | 3.02 | -40.73 | 3 | 4 | 1 | 55 | 229.344 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 1.84 | -7.28 | 2 | 4 | 0 | 50 | 228.336 | 7 | ↓ |