| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: 2-methoxy-N-[[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methyl]ethanamine 2-methoxy-N-[[2-(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) | 1.04 | 6.46 | -84.73 | 3 | 5 | 2 | 46 | 286.445 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 3.06 | -6.64 | 1 | 5 | 0 | 41 | 284.429 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 4.49 | -38.92 | 2 | 5 | 1 | 45 | 285.437 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 5.03 | -39.11 | 2 | 5 | 1 | 42 | 285.437 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
