In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2010 | 18 | 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) | 2.36 | 8.39 | -38.26 | 2 | 3 | 1 | 43 | 248.346 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 7.33 | -5.03 | 1 | 3 | 0 | 38 | 247.338 | 4 | ↓ |