UCSF

ZINC67965534

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: (2,4-difluoro-3-methoxy-phenyl)-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)methanone (2,4-difluoro-3-methoxy-phenyl)-…

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) 1.53 7.24 -41.64 1 5 1 37 354.421 2 ↓
Lo Low (pH 4.5-6) 1.53 8.36 -119.86 2 5 2 38 355.429 2 ↓

Activity (Go SEA)

Rings

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

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