In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 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) | 2.83 | 7.02 | -119.19 | 4 | 2 | 2 | 32 | 228.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 5.38 | -37.58 | 3 | 2 | 1 | 31 | 227.416 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 6.72 | -33.12 | 3 | 2 | 1 | 30 | 227.416 | 4 | ↓ |