| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | No |
Popular Name: 2-methyl-N-[[5-(1,4-thiazepan-4-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-(1,4-thiazepan-4-…
| 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) | 2.10 | 7.64 | -97.7 | 3 | 4 | 2 | 47 | 285.457 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.4 | -41.33 | 2 | 4 | 1 | 42 | 284.449 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
