UCSF

ZINC04168982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 33 No

Popular Name: 5-phenyl-2-[({2-[4-(phenylacetyl)-1-piperazinyl]ethyl}amino)methylene]-1,3-cyclohexanedione 5-phenyl-2-[({2-[4-(phenylacetyl…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02375541

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) 2.40 -1.86 -53.67 1 6 1 71 446.571 7 ↓
Mid Mid (pH 6-8) 2.40 0.09 -132.24 2 6 2 72 447.579 7 ↓

Activity (Go SEA)

Rings

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

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