In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 29 | Yes |
Popular Name: 2-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(m-tolyl)pyridine-3-carboxylic 2-(2-isobutyl-5,7-dihydropyrrolo…
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) | 3.71 | 13.47 | -37.98 | 1 | 6 | 0 | 83 | 388.471 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 13.1 | -51.71 | 0 | 6 | -1 | 82 | 387.463 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.