In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 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) | 1.24 | 2.06 | -55.64 | 4 | 3 | 1 | 57 | 233.213 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.24 | 1.67 | -7.81 | 3 | 3 | 0 | 55 | 232.205 | 4 | ↓ |