| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: (1R)-N,N-dimethyl-N'-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-1-phenyl-ethane-1,2-diamine (1R)-N,N-dimethyl-N'-[(1R)-1-[(3…
| 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) | 2.84 | 9.48 | -80.29 | 3 | 3 | 2 | 21 | 291.483 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 7.67 | -34.29 | 2 | 3 | 1 | 20 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 6.41 | -37.72 | 2 | 3 | 1 | 23 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 8.2 | -99.5 | 3 | 3 | 2 | 24 | 291.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 10.5 | -187.73 | 4 | 3 | 3 | 25 | 292.491 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
