| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2010 | 21 | Yes |
Popular Name: N-ethyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-(methylaminomethyl)isoquinolin-1-amine N-ethyl-N-[(1S)-2-methoxy-1-meth…
| 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) | 2.98 | 8.18 | -37.36 | 2 | 4 | 1 | 42 | 288.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 6.74 | -6.03 | 1 | 4 | 0 | 37 | 287.407 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 7.15 | -21.52 | 2 | 4 | 1 | 39 | 288.415 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 8.59 | -98.87 | 3 | 4 | 2 | 43 | 289.423 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
