| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-thiazole-5-carboxylic 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) | 2.36 | 9.14 | -77.06 | 1 | 5 | 0 | 61 | 283.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 7.11 | -52.31 | 0 | 5 | -1 | 59 | 282.389 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 9.48 | -91.13 | 2 | 5 | 1 | 62 | 284.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
