| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | No |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-thiazole-5-carbaldehyde 2-(4-methyl-1,4-diazepan-1-yl)-4…
| 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) | 2.58 | 8.33 | -45.62 | 1 | 4 | 1 | 38 | 268.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 6.31 | -8.65 | 0 | 4 | 0 | 36 | 267.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
