UCSF

ZINC69489322

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 Yes

Popular Name: (3S,5S)-5-methyl-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)tetrahydrofuran-2-one (3S,5S)-5-methyl-3-(2-methyl-6,8…

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) -0.89 4.19 -9.15 0 5 0 55 247.298 1 ↓
Mid Mid (pH 6-8) -0.89 6.41 -45.04 1 5 1 57 248.306 1 ↓

Activity (Go SEA)

Rings

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

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