| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | No |
Popular Name: 1-(2-chloroethyl)-4-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-1,4-diazepane 1-(2-chloroethyl)-4-[[1-[(1R)-1-…
| 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) | 2.44 | 5.77 | -5.68 | 0 | 4 | 0 | 24 | 298.862 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.85 | -37.33 | 1 | 4 | 1 | 26 | 299.87 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.86 | -33.82 | 1 | 4 | 1 | 26 | 299.87 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
