| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: 3-bromo-4-[[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]aniline 3-bromo-4-[[(3R)-3-(1-piperidyl)…
| 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) | 2.61 | 9.05 | -103.07 | 4 | 3 | 2 | 35 | 340.309 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 4.58 | -2.99 | 2 | 3 | 0 | 32 | 338.293 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 6.9 | -30.65 | 3 | 3 | 1 | 34 | 339.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 6.74 | -32.93 | 3 | 3 | 1 | 34 | 339.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
