| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | No |
Popular Name: (1R)-1-phenyl-2-[2-(1,4-thiazepan-4-yl)thiazol-4-yl]ethanamine (1R)-1-phenyl-2-[2-(1,4-thiazepa…
| 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) | 1.28 | 8.29 | -38.99 | 3 | 3 | 1 | 44 | 320.507 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 7.89 | -5.72 | 2 | 3 | 0 | 42 | 319.499 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 8.7 | -108.87 | 4 | 3 | 2 | 45 | 321.515 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
