| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: 4-methyl-2-(4-methyl-1,4-diazepan-1-yl)thiazole-5-carboxylic 4-methyl-2-(4-methyl-1,4-diazepa…
| 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) | 1.29 | 7.64 | -76.62 | 1 | 5 | 0 | 61 | 255.343 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.62 | -51.48 | 0 | 5 | -1 | 59 | 254.335 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 8.02 | -90.64 | 2 | 5 | 1 | 62 | 256.351 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
