| 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-1-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) | 2.53 | 6.84 | -43.5 | 2 | 4 | 1 | 46 | 286.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 9.13 | -103.5 | 3 | 4 | 2 | 47 | 287.407 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
