| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: [4-ethyl-2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methanamine [4-ethyl-2-(4-methyl-1,4-diazepa…
| 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) | 1.47 | 5.86 | -90.04 | 4 | 4 | 2 | 48 | 256.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 3.41 | -5.77 | 2 | 4 | 0 | 45 | 254.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 5.44 | -40.73 | 3 | 4 | 1 | 47 | 255.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 3.89 | -45.57 | 3 | 4 | 1 | 47 | 255.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
