In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2011 | 18 | 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) | 2.06 | 4.38 | -33.13 | 2 | 3 | 1 | 28 | 249.378 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 4.44 | -31.73 | 2 | 3 | 1 | 28 | 249.378 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 2.09 | -4.33 | 1 | 3 | 0 | 27 | 248.37 | 5 | ↓ |