In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | 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) | 1.76 | 4.78 | -88.85 | 4 | 3 | 2 | 35 | 229.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 2.51 | -42.07 | 3 | 3 | 1 | 34 | 228.404 | 8 | ↓ |