UCSF

ZINC41584557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-6-hydroxy-4-methyl-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benz (2Z)-2-[(2-fluorophenyl)methylen…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.68 11.79 -42.15 2 5 1 68 445.514 4 ↓
Hi High (pH 8-9.5) 4.68 9.8 -9.23 1 5 0 67 444.506 4 ↓
Mid Mid (pH 6-8) 4.68 12.54 -35.04 1 5 0 71 444.506 4 ↓

Activity (Go SEA)

Rings

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

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