| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: 5-amino-1-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propyl]pyridin-2-one 5-amino-1-[3-[(3S)-3-(dimethylam…
| 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) | 0.53 | 4 | -43.43 | 3 | 5 | 1 | 56 | 265.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 1.61 | -11.97 | 2 | 5 | 0 | 55 | 264.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 4 | -42.85 | 3 | 5 | 1 | 56 | 265.381 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 6.39 | -112.25 | 4 | 5 | 2 | 57 | 266.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
