| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoline-3-carboxamidine 4-[(3S)-3-(dimethylamino)pyrroli…
| 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) | 0.79 | 6.41 | -98.25 | 5 | 5 | 2 | 72 | 285.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 5.05 | -5.81 | 3 | 5 | 0 | 69 | 283.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 4.02 | -32.68 | 4 | 5 | 1 | 71 | 284.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 6.83 | -172.35 | 6 | 5 | 3 | 73 | 286.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
