| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: 2-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine 2-methyl-N-[[(3R)-1-(2,2,2-trifl…
| 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) | 1.54 | 4 | -8.13 | 1 | 4 | 0 | 41 | 274.29 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.33 | -47.85 | 2 | 4 | 1 | 42 | 275.298 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 4.44 | -34.54 | 2 | 4 | 1 | 42 | 275.298 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 6.77 | -89.05 | 3 | 4 | 2 | 43 | 276.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
