In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 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) | 1.08 | -2.21 | -14.36 | 4 | 5 | 0 | 92 | 230.289 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.08 | -1.76 | -44.55 | 3 | 5 | -1 | 95 | 229.281 | 4 | ↓ |