UCSF

ZINC54422641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 28 No

Popular Name: 1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thi 1-[[4-(4-methoxyphenyl)piperazin…

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) 2.60 11.22 -28.83 0 7 0 51 398.536 4 ↓
Mid Mid (pH 6-8) 2.60 12.88 -65.8 1 7 1 52 399.544 4 ↓

Activity (Go SEA)

Rings

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

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