| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: 3-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-isoquinolin-1-amine 3-(ethylaminomethyl)-N-(3-methox…
| 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) | 2.92 | 8.23 | -37.49 | 2 | 4 | 1 | 42 | 288.415 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 6.86 | -7.23 | 1 | 4 | 0 | 37 | 287.407 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 7.27 | -23.61 | 2 | 4 | 1 | 39 | 288.415 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
