UCSF

ZINC65330882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 34 Yes

Popular Name: 2-(p-tolyl)-7-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-(p-tolyl)-7-[[4-(p-tolylsulfon…

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) 4.11 8.69 -19.85 0 8 0 88 495.63 5 ↓
Lo Low (pH 4.5-6) 4.11 10.96 -60.04 1 8 1 89 496.638 5 ↓
Lo Low (pH 4.5-6) 4.11 8.63 -45.19 1 8 1 89 496.638 5 ↓

Activity (Go SEA)

Rings

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

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