| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 20 | Yes |
Popular Name: 4-[(4-ethylsulfonyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-isoxazole 4-[(4-ethylsulfonyl-1,4-diazepan…
| 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) | 0.51 | 2.89 | -14.26 | 0 | 6 | 0 | 67 | 301.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 4.63 | -59.86 | 1 | 6 | 1 | 68 | 302.42 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
