In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 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) | 2.29 | 7.19 | -39.84 | 1 | 2 | 1 | 22 | 196.314 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 5.16 | -3.33 | 0 | 2 | 0 | 20 | 195.306 | 2 | ↓ |