| 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-2-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) | 1.55 | 7.98 | -174.93 | 4 | 4 | 3 | 38 | 299.508 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 2.04 | -5.05 | 1 | 4 | 0 | 31 | 296.484 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 4.61 | -32.7 | 2 | 4 | 1 | 33 | 297.492 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 5.87 | -79.22 | 3 | 4 | 2 | 37 | 298.5 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
