In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 18 | Yes |
None
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) | 1.16 | 5.05 | -106.41 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 5.06 | -92 | 4 | 3 | 2 | 35 | 249.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 2.67 | -44.36 | 3 | 3 | 1 | 34 | 248.394 | 5 | ↓ |