| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: [(2R,4S)-2-methyl-4-(1,4-thiazepan-4-yl)tetrahydropyran-4-yl]methanamine [(2R,4S)-2-methyl-4-(1,4-thiazep…
| 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) | 0.61 | 3.16 | -50.79 | 3 | 3 | 1 | 40 | 245.412 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 3.15 | -2.88 | 2 | 3 | 0 | 38 | 244.404 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.61 | 4.39 | -126.97 | 4 | 3 | 2 | 41 | 246.42 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
