UCSF

ZINC41584607

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3- (2Z)-2-[(4-chlorophenyl)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) 4.86 11.74 -42.26 2 5 1 68 447.942 4 ↓
Hi High (pH 8-9.5) 4.86 10.52 -44.46 0 5 -1 69 445.926 4 ↓
Mid Mid (pH 6-8) 4.86 9.88 -8.06 1 5 0 67 446.934 4 ↓
Mid Mid (pH 6-8) 4.86 12.41 -33.24 1 5 0 71 446.934 4 ↓

Activity (Go SEA)

Rings

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

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