| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: 5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]isoquinolin-8-amine 5-[(3R)-3-(diethylamino)pyrrolid…
| 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) | 2.44 | 7.97 | -78.32 | 4 | 4 | 2 | 48 | 286.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.47 | -5.38 | 2 | 4 | 0 | 45 | 284.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.51 | -37.02 | 3 | 4 | 1 | 47 | 285.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
