UCSF

ZINC57917145

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 No

Popular Name: (3Z)-1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one (3Z)-1-[4-(2,2-difluoroethyl)pip…

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) 3.29 7.96 -10.53 0 4 0 27 363.452 5 ↓
Mid Mid (pH 6-8) 3.29 7.89 -8.69 0 4 0 27 363.452 5 ↓

Activity (Go SEA)

Rings

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

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