| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: 2-methyl-N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-[(4-methyl-1,4-di…
| 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) | 1.49 | 8.47 | -179.27 | 4 | 4 | 3 | 38 | 299.508 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.78 | -38.34 | 2 | 4 | 1 | 36 | 297.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 5.13 | -32.72 | 2 | 4 | 1 | 33 | 297.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 2.55 | -5.03 | 1 | 4 | 0 | 31 | 296.484 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.35 | -83.42 | 3 | 4 | 2 | 37 | 298.5 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
