UCSF

ZINC53298021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 Yes

Popular Name: (1S,5R,6R)-6-(3,4-dichlorophenyl)-5-fluoro-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane (1S,5R,6R)-6-(3,4-dichlorophenyl…

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) 3.02 7.03 -45.45 2 2 1 26 305.2 3 ↓
Hi High (pH 8-9.5) 3.02 5.67 -4.3 1 2 0 21 304.192 3 ↓

Activity (Go SEA)

Rings

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

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