In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 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) | 1.92 | 5.47 | -39.94 | 2 | 4 | 1 | 41 | 272.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 3.09 | -8.57 | 1 | 4 | 0 | 40 | 271.364 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 5.79 | -91.97 | 3 | 4 | 2 | 42 | 273.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 3.41 | -25.5 | 2 | 4 | 1 | 41 | 272.372 | 3 | ↓ |