| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 19 | Yes |
Popular Name: (1R)-1-(4-isobutoxyphenyl)-2-pyrrolidin-1-yl-ethanamine (1R)-1-(4-isobutoxyphenyl)-2-pyr…
| 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) | 1.04 | 7.08 | -34.76 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 5.14 | -47.02 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 7.4 | -120.91 | 4 | 3 | 2 | 41 | 264.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
