| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: N-(cyclopropylmethyl)-N-ethyl-3-(methylaminomethyl)isoquinolin-1-amine N-(cyclopropylmethyl)-N-ethyl-3-…
| 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) | 3.54 | 9.87 | -37.02 | 2 | 3 | 1 | 33 | 270.4 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 8.43 | -6.2 | 1 | 3 | 0 | 28 | 269.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 8.84 | -21.66 | 2 | 3 | 1 | 29 | 270.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
