| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(3,4-dihydro-1H-isoquinoli…
| 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) | 2.33 | 6.61 | -40.54 | 2 | 4 | 1 | 46 | 286.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.42 | -6.9 | 1 | 4 | 0 | 41 | 285.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 8.9 | -101.55 | 3 | 4 | 2 | 47 | 287.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
