| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine 4-[[(3S)-3-(diethylamino)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) | 1.18 | 4.51 | -38.87 | 3 | 4 | 1 | 47 | 249.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.06 | -4.06 | 2 | 4 | 0 | 45 | 248.374 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 4.24 | -36.87 | 3 | 4 | 1 | 47 | 249.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 4.71 | -74.93 | 4 | 4 | 2 | 48 | 250.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
