| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 28 | Yes |
Find On: PubMed — Wikipedia — Google
CAS Number: 1228666-27-0
(trans Racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-di
| 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) | 3.13 | 9.58 | -14.23 | 0 | 7 | 0 | 72 | 393.459 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 10.03 | -32.45 | 1 | 7 | 1 | 73 | 394.467 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.