In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 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) | 0.89 | 6.13 | -68.73 | 1 | 4 | 0 | 68 | 196.25 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 4.1 | -48.67 | 0 | 4 | -1 | 67 | 195.242 | 3 | ↓ |