UCSF

ZINC39764046

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 No

Popular Name: N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(6R)-5-oxo-3-thioxo-6H-1,2,4-triazin-6-yl]propanamide N-[(2-methoxyphenyl)methyl]-N-me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.84 5.21 -13.54 1 7 0 83 334.401 6 ↓
Mid Mid (pH 6-8) 1.03 3.29 -44.22 0 7 -1 90 333.393 6 ↓

Activity (Go SEA)

Rings

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

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