In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 29 | No |
Popular Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2,4,6-trimethylphenyl)-thiourea 1-[(4-fluorophenyl)methyl]-1-(3-…
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) | 3.37 | 16.87 | -47.21 | 2 | 4 | 1 | 34 | 411.57 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 16.36 | -18.41 | 1 | 4 | 0 | 33 | 410.562 | 9 | ↓ |