UCSF

ZINC41585879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2Z)-6-hydroxy-2-(3-pyridylmethylene)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(3-pyridylmethy…

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) 2.38 7.58 -38.71 2 7 1 84 415.473 4 ↓
Hi High (pH 8-9.5) 2.38 7.87 -41.38 0 7 -1 86 413.457 4 ↓
Mid Mid (pH 6-8) 2.38 7.28 -12.3 1 7 0 83 414.465 4 ↓
Mid Mid (pH 6-8) 2.38 9.84 -110.26 3 7 2 85 416.481 4 ↓
Lo Low (pH 4.5-6) 2.38 9.52 -51.27 2 7 1 84 415.473 4 ↓

Activity (Go SEA)

Rings

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

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