| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: N-[[2-(azepan-1-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(azepan-1-yl)thiazol-5-yl]…
| 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) | 3.18 | 8.04 | -38.8 | 2 | 3 | 1 | 33 | 254.423 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.68 | -4.64 | 1 | 3 | 0 | 28 | 253.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
