| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (2S)-2-methyl-3-[4-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-[2-(2-methyli…
| 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) | -0.17 | 6.45 | -160.92 | 5 | 5 | 3 | 54 | 282.456 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | 3.92 | -47.14 | 3 | 5 | 1 | 52 | 280.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 5.94 | -112.15 | 4 | 5 | 2 | 53 | 281.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 6.41 | -175.36 | 5 | 5 | 3 | 54 | 282.456 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 5.97 | -114.43 | 4 | 5 | 2 | 53 | 281.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 4.4 | -81.22 | 4 | 5 | 2 | 53 | 281.448 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 8.21 | -291.82 | 6 | 5 | 4 | 56 | 283.464 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
