| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]cyclododecanol (1S,2R)-2-[(3S)-3-(dimethylamino…
| 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) | 4.28 | 7.03 | -33.59 | 2 | 3 | 1 | 28 | 297.507 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 7.12 | -33.84 | 2 | 3 | 1 | 28 | 297.507 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 9.42 | -106.61 | 3 | 3 | 2 | 29 | 298.515 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
