In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 14 | 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) | 1.38 | 0.86 | -11.39 | 3 | 4 | 0 | 72 | 214.29 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 0.9 | -41.54 | 2 | 4 | -1 | 74 | 213.282 | 3 | ↓ |