UCSF

ZINC68960273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 26 No

Popular Name: N-(3-methoxypropyl)-2-[methyl-[[5-(3-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]amino]acet N-(3-methoxypropyl)-2-[methyl-[[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.81 5.39 -15.26 2 7 0 71 395.554 10 ↓
Mid Mid (pH 6-8) 2.81 7.77 -42.01 3 7 1 73 396.562 10 ↓

Activity (Go SEA)

Rings

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

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