| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (1S,2S)-2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cycloheptanol (1S,2S)-2-[[(3S)-3-(dimethylamin…
| 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) | 2.13 | 4.33 | -33.38 | 2 | 3 | 1 | 28 | 241.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 1.94 | -2.34 | 1 | 3 | 0 | 27 | 240.391 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 3.93 | -32.2 | 2 | 3 | 1 | 28 | 241.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 6.32 | -102.65 | 3 | 3 | 2 | 29 | 242.407 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
