| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | No |
Popular Name: (7S)-2-(1,4-thiazepan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(1,4-thiazepan-4-yl)-4,5,…
| 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) | 0.30 | 5.7 | -45.03 | 3 | 3 | 1 | 44 | 270.447 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 5.38 | -4.9 | 2 | 3 | 0 | 42 | 269.439 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 6.01 | -97.25 | 4 | 3 | 2 | 45 | 271.455 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
