UCSF

ZINC35638833

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 Yes

Popular Name: [(3S,5R,9S)-4-(3,5-difluorobenzoyl)-9-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methylpiperazin-1-y [(3S,5R,9S)-4-(3,5-difluorobenzo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.21 5.86 -8.26 0 6 0 53 421.488 2 ↓
Mid Mid (pH 6-8) 2.21 8.22 -51.99 1 6 1 54 422.496 2 ↓

Activity (Go SEA)

Rings

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

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