In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2011 | 19 | 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) | 3.34 | 9.36 | -43.26 | 1 | 3 | 1 | 37 | 259.373 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 7.05 | -5.65 | 0 | 3 | 0 | 36 | 258.365 | 4 | ↓ |