| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 26 | Yes |
Popular Name: 1-[(1S)-1-(4-isobutylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1S)-1-(4-isobutylpiperazine-…
| 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) | 2.92 | 8.16 | -44.83 | 3 | 6 | 1 | 66 | 361.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 5.92 | -7.79 | 2 | 6 | 0 | 65 | 360.502 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
