In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 17 | 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) | 1.89 | 4.23 | -44.65 | 3 | 4 | 1 | 55 | 243.371 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 2.83 | -10.41 | 2 | 4 | 0 | 50 | 242.363 | 8 | ↓ |