| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: N,N'-dimethyl-N'-[[5-(2-thienyl)isoxazol-3-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[[5-(2-thienyl)…
| 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) | 1.95 | 3.78 | -43.76 | 2 | 4 | 1 | 46 | 252.363 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 2.33 | -7.32 | 1 | 4 | 0 | 41 | 251.355 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 6.1 | -117.78 | 3 | 4 | 2 | 47 | 253.371 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
