| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | No |
Popular Name: [4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methanamine [4-(1,4-thiazepan-4-ylmethyl)thi…
| 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) | 0.48 | 4.21 | -97.5 | 4 | 3 | 2 | 45 | 245.417 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 2.28 | -4.68 | 2 | 3 | 0 | 42 | 243.401 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 3.8 | -34.73 | 3 | 3 | 1 | 43 | 244.409 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 2.69 | -45.68 | 3 | 3 | 1 | 44 | 244.409 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
