UCSF

ZINC59514141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 37 No

Popular Name: 7-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazo 7-[[4-[4-(3-chlorophenyl)piperaz…

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) 4.44 11.86 -39.84 0 8 -1 77 534.017 4 ↓
Mid Mid (pH 6-8) 3.71 12.18 -14.79 1 8 0 80 535.025 4 ↓

Activity (Go SEA)

Rings

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

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