In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 20 | 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) | 0.81 | 1.33 | -65.75 | 6 | 5 | 1 | 100 | 270.312 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 0.92 | -19.88 | 5 | 5 | 0 | 98 | 269.304 | 4 | ↓ |