| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (2S)-3-methyl-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2S)-3-methyl-N-[(1R)-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 | 9.74 | -77.22 | 3 | 3 | 2 | 21 | 283.504 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 5.73 | -35.39 | 2 | 3 | 1 | 23 | 282.496 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 7.55 | -29.19 | 2 | 3 | 1 | 20 | 282.496 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.79 | -113.42 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 10.29 | -190.18 | 4 | 3 | 3 | 25 | 284.512 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.65 | -93.91 | 3 | 3 | 2 | 24 | 283.504 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
