| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2011 | 25 | Yes |
Popular Name: 1-[(2S)-2-cyanopropyl]-1-methyl-3-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]urea 1-[(2S)-2-cyanopropyl]-1-methyl-…
| 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) | 1.84 | 9.24 | -49.71 | 2 | 7 | 1 | 77 | 345.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 7.23 | -13.2 | 1 | 7 | 0 | 75 | 344.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 9.52 | -108.11 | 3 | 7 | 2 | 78 | 346.479 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
