| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2006 | 27 | No |
Popular Name: 3-(2,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea 3-(2,5-dimethylphenyl)-1-(3-imid…
| 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) | 2.53 | 14.84 | -46.25 | 2 | 5 | 1 | 47 | 380.541 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 14.33 | -19.17 | 1 | 5 | 0 | 46 | 379.533 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 15.31 | -102.2 | 3 | 5 | 2 | 48 | 381.549 | 9 | ↓ |
