| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 16 | Yes |
Popular Name: [4-methyl-2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methanamine [4-methyl-2-(4-methyl-1,4-diazep…
| 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) | 0.90 | 5.08 | -90.25 | 4 | 4 | 2 | 48 | 242.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.71 | -5.92 | 2 | 4 | 0 | 45 | 240.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 4.68 | -38.44 | 3 | 4 | 1 | 47 | 241.384 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.11 | -45.44 | 3 | 4 | 1 | 47 | 241.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
