| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2011 | 24 | Yes |
Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[2-[(1S)-2-cyano-1-methyl-ethy…
| 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) | 1.60 | 9.7 | -46.09 | 3 | 6 | 1 | 84 | 344.464 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 9.18 | -20.03 | 2 | 6 | 0 | 83 | 343.456 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
