| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 29 | No |
Popular Name: 1-(3-imidazol-1-ylpropyl)-3-(2-isopropyl-3-methyl-phenyl)-1-(4-pyridylmethyl)thiourea 1-(3-imidazol-1-ylpropyl)-3-(2-i…
| 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) | 3.05 | 16.23 | -48.14 | 2 | 5 | 1 | 47 | 408.595 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 15.72 | -19.71 | 1 | 5 | 0 | 46 | 407.587 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 16.69 | -98.18 | 3 | 5 | 2 | 48 | 409.603 | 10 | ↓ |
