UCSF

ZINC66449702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 19 No

Popular Name: (3R)-4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-3-ethyl-piperazin-2-one (3R)-4-[[5-(dimethylamino)-2-thi…

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) 0.46 3.81 -12.92 1 6 0 53 301.441 4 ↓
Lo Low (pH 4.5-6) 0.46 5.57 -40.33 2 6 1 55 302.449 4 ↓

Activity (Go SEA)

Rings

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

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