| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 18 | Yes |
Popular Name: N-(2-furylmethyl)-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[3-(methyla…
| 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) | 1.29 | 3.92 | -43.46 | 2 | 5 | 1 | 59 | 250.322 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.47 | -7.8 | 1 | 5 | 0 | 54 | 249.314 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 6.06 | -96.53 | 3 | 5 | 2 | 60 | 251.33 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
