In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | 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) | 0.59 | -0.74 | -9.44 | 3 | 5 | 0 | 81 | 230.289 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.59 | -0.73 | -40.86 | 2 | 5 | -1 | 83 | 229.281 | 5 | ↓ |