In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 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) | -0.80 | 1.55 | -86.96 | 5 | 4 | 2 | 61 | 189.303 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.80 | 1.21 | -41.26 | 4 | 4 | 1 | 60 | 188.295 | 6 | ↓ |