In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 13 | 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) | 0.30 | 1.61 | -40.8 | 3 | 3 | 1 | 50 | 181.259 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 0.23 | -6.14 | 2 | 3 | 0 | 45 | 180.251 | 4 | ↓ |