| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]tetrahydropyran-4-ol (3R,4S)-3-[(3R)-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) | -0.05 | 0.19 | -31.62 | 2 | 4 | 1 | 37 | 215.317 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | -2.11 | -4.06 | 1 | 4 | 0 | 36 | 214.309 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 0.28 | -35.92 | 2 | 4 | 1 | 37 | 215.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 2.6 | -100.64 | 3 | 4 | 2 | 38 | 216.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
