UCSF

ZINC32070754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 31 Yes

Popular Name: (4R)-1'-allyl-7'-chloro-1-(3,4-dimethylphenyl)spiro[5,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indoline (4R)-1'-allyl-7'-chloro-1-(3,4-d…

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) 4.39 9.22 -11.98 1 6 0 71 432.911 3 ↓
Ref Reference (pH 7) 4.21 11.62 -9.3 1 6 0 67 432.911 3 ↓

Activity (Go SEA)

Rings

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

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