In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 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) | 1.54 | 3.2 | -92.91 | 5 | 3 | 2 | 54 | 201.273 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 2.89 | -27.4 | 4 | 3 | 1 | 52 | 200.265 | 2 | ↓ |