UCSF

ZINC41585715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2E)-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-2-[(1-methylindol-3-yl)methyle (2E)-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) 5.17 13.28 -49.13 2 7 1 72 510.614 5 ↓
Mid Mid (pH 6-8) 5.17 11.01 -12.53 1 7 0 71 509.606 5 ↓
Mid Mid (pH 6-8) 5.17 11.61 -46.82 0 7 -1 74 508.598 5 ↓
Mid Mid (pH 6-8) 5.17 13.84 -33.77 1 7 0 75 509.606 5 ↓

Activity (Go SEA)

Rings

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