UCSF

ZINC49547374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 Yes

Popular Name: (5R)-N-(3-methylsulfanylphenyl)-2,4,7-trioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (5R)-N-(3-methylsulfanylphenyl)-…

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) 0.05 -1.03 -18.69 4 8 0 127 346.368 3 ↓
Ref Reference (pH 7) -0.13 1.62 -17.65 4 8 0 124 346.368 3 ↓
Mid Mid (pH 6-8) 0.51 -2.96 -53.14 3 8 -1 131 345.36 3 ↓
Mid Mid (pH 6-8) 0.32 -0.32 -43.72 3 8 -1 127 345.36 3 ↓

Activity (Go SEA)

Rings

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

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