In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 23 | Yes |
Popular Name: 2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7-fluoro-4-methyl-quinoline 2-(2-ethyl-5,7-dihydropyrrolo[3,…
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) | 3.19 | 9.34 | -32.81 | 1 | 4 | 1 | 43 | 309.368 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 8.98 | -9.57 | 0 | 4 | 0 | 42 | 308.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.