In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 0.96 | 4.63 | -3.77 | 2 | 3 | 0 | 38 | 274.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 7.18 | -124.3 | 4 | 3 | 2 | 41 | 276.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 6.87 | -33.87 | 3 | 3 | 1 | 40 | 275.416 | 4 | ↓ |