| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 27 | Yes |
Popular Name: N-[2-(azepan-1-yl)ethyl]-5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amine N-[2-(azepan-1-yl)ethyl]-5-(4-is…
None
| 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) | 4.60 | 7.88 | -41.98 | 1 | 5 | 0 | 65 | 389.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.60 | 7.04 | -19.35 | 1 | 5 | 0 | 62 | 389.565 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 8.85 | -62.53 | 2 | 5 | 1 | 63 | 390.573 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
