In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 33 | No |
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) | 2.96 | 6.22 | -64.54 | 0 | 8 | -1 | 107 | 512.391 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 6.36 | -12.85 | 1 | 8 | 0 | 104 | 513.399 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 6.94 | -15.43 | 0 | 8 | 0 | 101 | 513.399 | 8 | ↓ |