UCSF

ZINC41585712

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: (2Z)-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-2-[(5-methyl-2-furyl)methylene (2Z)-6-hydroxy-7-[[4-(4-methoxyp…

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) 4.43 10.99 -48.33 2 7 1 80 461.538 5 ↓
Mid Mid (pH 6-8) 4.43 9.54 -47.08 0 7 -1 82 459.522 5 ↓
Mid Mid (pH 6-8) 4.43 11.74 -31.54 1 7 0 83 460.53 5 ↓
Mid Mid (pH 6-8) 4.43 8.78 -12.44 1 7 0 79 460.53 5 ↓

Activity (Go SEA)

Rings

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