| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | Yes |
Popular Name: [2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methanamine [2-(4-methyl-1,4-diazepan-1-yl)t…
| 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) | 0.68 | 4.59 | -90.11 | 4 | 4 | 2 | 48 | 228.365 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 2.21 | -5.44 | 2 | 4 | 0 | 45 | 226.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4.18 | -38.36 | 3 | 4 | 1 | 47 | 227.357 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 2.62 | -44.92 | 3 | 4 | 1 | 47 | 227.357 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
