| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (2R)-3-methyl-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2R)-3-methyl-N-[(1S)-1-[(3R)-1-…
| 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) | 2.77 | 9.71 | -79.33 | 3 | 3 | 2 | 21 | 283.504 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 5.68 | -33.61 | 2 | 3 | 1 | 23 | 282.496 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.31 | -30.34 | 2 | 3 | 1 | 20 | 282.496 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.82 | -111.67 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 10.12 | -192.69 | 4 | 3 | 3 | 25 | 284.512 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 8.33 | -99.03 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
