UCSF

ZINC67964884

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(5-phenylisoxazol-3-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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) 2.67 8.22 -45.18 1 6 1 54 369.489 2 ↓
Lo Low (pH 4.5-6) 2.67 10.46 -105.6 2 6 2 55 370.497 2 ↓

Activity (Go SEA)

Rings

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

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