| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | No |
Popular Name: N-[[5-(1,4-thiazepan-4-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(1,4-thiazepan-4-ylmethyl)…
| 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) | 1.59 | 7.21 | -98.54 | 3 | 4 | 2 | 47 | 271.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 6.01 | -41.46 | 2 | 4 | 1 | 42 | 270.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
