| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 17 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone [4-(2-aminoethyl)-1,4-diazepan-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) | -1.82 | 0.12 | -54.11 | 4 | 6 | 1 | 80 | 238.315 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.82 | 1.91 | -127.63 | 5 | 6 | 2 | 81 | 239.323 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
