| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: 2-methoxy-5-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]aniline 2-methoxy-5-[[(3S)-3-(1-piperidy…
| 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) | 2.27 | 7.83 | -111.77 | 4 | 4 | 2 | 44 | 291.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 5.66 | -36.45 | 3 | 4 | 1 | 43 | 290.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.33 | -35.55 | 3 | 4 | 1 | 43 | 290.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
