| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | No |
Popular Name: (7S)-N-methyl-2-(1,4-thiazepan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-(1,4-thiazepan-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) | 2.55 | 7.45 | -39.39 | 2 | 3 | 1 | 33 | 284.474 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 6.04 | -6.38 | 1 | 3 | 0 | 28 | 283.466 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 7.77 | -91.07 | 3 | 3 | 2 | 34 | 285.482 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
