| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 18 | Yes |
Popular Name: 1-isobutyl-4-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]piperazine 1-isobutyl-4-[[(2S,4R)-4-methoxy…
| 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) | 1.23 | 4.37 | -93.01 | 3 | 4 | 2 | 34 | 257.422 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 2.39 | -35.33 | 2 | 4 | 1 | 32 | 256.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.54 | -33.38 | 2 | 4 | 1 | 29 | 256.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.08 | -32.93 | 2 | 4 | 1 | 29 | 256.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
