| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 21 | Yes |
Popular Name: (3R)-3-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]pentan-1-amine (3R)-3-[4-(3-imidazol-1-ylpropyl…
| 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) | 0.40 | 7.73 | -178.54 | 5 | 5 | 3 | 54 | 296.483 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 5.42 | -48.57 | 3 | 5 | 1 | 52 | 294.467 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 7.22 | -115.67 | 4 | 5 | 2 | 53 | 295.475 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
