In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 9 | 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) | 1.23 | -0.83 | -33.95 | 4 | 2 | 1 | 48 | 132.227 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.23 | -1.18 | -2.95 | 3 | 2 | 0 | 46 | 131.219 | 2 | ↓ |