In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 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) | 0.93 | 3.91 | -44.51 | 3 | 4 | 0 | 77 | 231.251 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.54 | -53.57 | 2 | 4 | -1 | 80 | 230.243 | 4 | ↓ |