| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 32 | No |
Popular Name: 1,1-dibenzyl-3-[(5S)-4-chloro-5-[(4-chlorophenyl)methyl]-5H-pyrazol-3-yl]thiourea 1,1-dibenzyl-3-[(5S)-4-chloro-5-…
| 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) | 5.45 | 16.16 | -15.19 | 1 | 4 | 0 | 40 | 481.452 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 16.16 | -15.19 | 1 | 4 | 0 | 42 | 481.452 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 15.87 | -41.79 | 0 | 4 | -1 | 40 | 480.444 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
