| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide 3-[[(3S)-3-(dimethylamino)pyrrol…
| 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) | 0.86 | 3.7 | -37.31 | 3 | 4 | 1 | 47 | 265.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 1.31 | -8.5 | 2 | 4 | 0 | 45 | 264.398 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 4.17 | -83.91 | 4 | 4 | 2 | 48 | 266.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
