| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2009 | 21 | Yes |
Popular Name: 4-[isopropyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]amino]butanoic 4-[isopropyl-[[5-(2-thienyl)isox…
| 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) | 2.63 | 8.87 | -56.7 | 1 | 5 | 0 | 71 | 308.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 7.17 | -51.22 | 0 | 5 | -1 | 69 | 307.395 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
