UCSF

ZINC66156710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 30 Yes

Popular Name: (1R,3R,7aS)-4'-bromo-3-(phenoxymethyl)-1'-prop-2-ynyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]pyra (1R,3R,7aS)-4'-bromo-3-(phenoxym…

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) 5.14 13.19 -12.22 0 4 0 39 464.359 4 ↓

Activity (Go SEA)

Rings

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

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