| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: 3-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[2-(2-methylimidazol-1-yl)e…
| 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) | -0.65 | 5.18 | -102.4 | 4 | 5 | 2 | 53 | 267.421 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.65 | 3.21 | -47.82 | 3 | 5 | 1 | 52 | 266.413 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 5.66 | -160.61 | 5 | 5 | 3 | 54 | 268.429 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 5.03 | -114.24 | 4 | 5 | 2 | 53 | 267.421 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 3.68 | -78.01 | 4 | 5 | 2 | 53 | 267.421 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 5.51 | -157.5 | 5 | 5 | 3 | 54 | 268.429 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 7.52 | -286.79 | 6 | 5 | 4 | 56 | 269.437 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
