UCSF

ZINC41585921

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]be (2E)-2-[(1-ethyl-5-methoxy-indol…

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) 4.25 10.84 -35.58 2 8 1 85 511.602 6 ↓
Hi High (pH 8-9.5) 4.25 11.27 -48.32 0 8 -1 87 509.586 6 ↓
Mid Mid (pH 6-8) 4.25 10.5 -13.22 1 8 0 84 510.594 6 ↓
Mid Mid (pH 6-8) 4.25 13.07 -101.99 3 8 2 86 512.61 6 ↓
Lo Low (pH 4.5-6) 4.25 12.71 -47.01 2 8 1 85 511.602 6 ↓

Activity (Go SEA)

Rings

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

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