| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | Yes |
Popular Name: (3R)-3-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]pentan-1-amine (3R)-3-[4-(2-pyrazol-1-ylethyl)-…
| 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) | 0.52 | 5.02 | -104.43 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 2.69 | -46.95 | 3 | 5 | 1 | 52 | 280.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 4.15 | -114.41 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
