In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 15 | 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) | -0.22 | -0.06 | -37.09 | 2 | 4 | 1 | 32 | 214.333 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.22 | -1.28 | -3.07 | 1 | 4 | 0 | 28 | 213.325 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 0.97 | -32.76 | 2 | 4 | 1 | 29 | 214.333 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 2.62 | -92.42 | 3 | 4 | 2 | 34 | 215.341 | 3 | ↓ |