In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 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) | 1.46 | 3.67 | -50.56 | 2 | 3 | 1 | 33 | 234.348 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 2.25 | -7.21 | 1 | 3 | 0 | 28 | 233.34 | 1 | ↓ |