In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | 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) | 1.42 | 3.79 | -48.71 | 3 | 4 | 1 | 70 | 235.307 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 2.44 | -7.77 | 2 | 4 | 0 | 65 | 234.299 | 7 | ↓ |