| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: [4-tert-butyl-2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]methanamine [4-tert-butyl-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) | 2.62 | 6.99 | -92.91 | 4 | 4 | 2 | 48 | 284.473 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.56 | -5.51 | 2 | 4 | 0 | 45 | 282.457 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.68 | -40.3 | 3 | 4 | 1 | 47 | 283.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 4.96 | -45.39 | 3 | 4 | 1 | 47 | 283.465 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
