In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 12 | 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) | -0.44 | 1.19 | -42.61 | 4 | 2 | 1 | 48 | 229.097 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.44 | 0.89 | -4.27 | 3 | 2 | 0 | 46 | 228.089 | 0 | ↓ |