In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | Yes |
Popular Name: (3R)-3-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[methyl(thieno[3,2-d]pyri…
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) | 1.92 | 7.33 | -16.99 | 0 | 5 | 0 | 49 | 330.335 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 7.79 | -37.13 | 1 | 5 | 1 | 51 | 331.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.