| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 16 | No |
Popular Name: N-methyl-1-[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methanamine N-methyl-1-[4-(1,4-thiazepan-4-y…
| 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) | 0.86 | 6.08 | -92.26 | 3 | 3 | 2 | 34 | 259.444 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 3.12 | -5.22 | 1 | 3 | 0 | 28 | 257.428 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 4.56 | -40.09 | 2 | 3 | 1 | 33 | 258.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
