| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[ethyl(2-furylmethyl)amin…
| 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) | 1.97 | 5.3 | -41.12 | 2 | 5 | 1 | 59 | 278.376 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.09 | -7.6 | 1 | 5 | 0 | 54 | 277.368 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.44 | -95.01 | 3 | 5 | 2 | 60 | 279.384 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
