| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N2-methyl-N2-(1-methyl-4-piperidyl)-1-phenyl-butane-1,2-diamine (1S,2R)-N2-methyl-N2-(1-methyl-4…
| 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) | 0.74 | 5.09 | -29.74 | 3 | 3 | 1 | 34 | 276.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 5.83 | -35.7 | 3 | 3 | 1 | 34 | 276.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 6.1 | -97.36 | 4 | 3 | 2 | 35 | 277.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 7.41 | -91.56 | 4 | 3 | 2 | 35 | 277.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 7.71 | -188.91 | 5 | 3 | 3 | 37 | 278.464 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
