UCSF

ZINC21531640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 37 Yes

Popular Name: 1-benzyl-4-[5-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]pipera 1-benzyl-4-[5-[2-[[4-(4-fluoroph…

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) 4.65 13.54 -36.41 1 7 1 45 518.686 7 ↓
Mid Mid (pH 6-8) 4.65 15.86 -92.98 2 7 2 46 519.694 7 ↓
Mid Mid (pH 6-8) 4.65 11.2 -8.18 0 7 0 44 517.678 7 ↓
Mid Mid (pH 6-8) 4.65 13.52 -48.15 1 7 1 45 518.686 7 ↓

Activity (Go SEA)

Rings

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

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