In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 11 | 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) | 1.16 | 5.25 | -99.25 | 3 | 2 | 2 | 21 | 158.289 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 3.88 | -32.02 | 2 | 2 | 1 | 16 | 157.281 | 4 | ↓ |