UCSF

ZINC54444342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 25 Yes

Popular Name: (4R)-1-[[4-(m-tolyl)piperazin-1-yl]methyl]-4-phenyl-azetidin-2-one (4R)-1-[[4-(m-tolyl)piperazin-1-…

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) 3.41 9.91 -9.18 0 4 0 27 335.451 4 ↓
Lo Low (pH 4.5-6) 3.41 12.23 -43.32 1 4 1 28 336.459 4 ↓

Activity (Go SEA)

Rings

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

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