In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2011 | 18 | 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) | 3.47 | 7.18 | -39.6 | 2 | 2 | 1 | 26 | 250.406 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 5.9 | -1.22 | 1 | 2 | 0 | 21 | 249.398 | 2 | ↓ |