UCSF

ZINC69486645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 4-[3-[(2R)-4-oxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-2-yl]phenoxy]butanenitrile 4-[3-[(2R)-4-oxo-2,3-dihydro-1H-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.23 6.01 -18.2 2 6 0 87 308.341 5 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.