In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 14 | 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) | 1.75 | 4.85 | -91.98 | 5 | 2 | 2 | 44 | 214.378 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 3.5 | -41.92 | 4 | 2 | 1 | 40 | 213.37 | 8 | ↓ |