| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cycloheptanone (2S)-2-[[(3R)-3-(dimethylamino)p…
| 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) | 1.95 | 6.44 | -36.43 | 1 | 3 | 1 | 25 | 239.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 4.03 | -5.74 | 0 | 3 | 0 | 24 | 238.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 8.61 | -104.19 | 2 | 3 | 2 | 26 | 240.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
