UCSF

ZINC41585880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

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

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) 3.52 8.36 -37.38 2 6 1 71 420.514 4 ↓
Hi High (pH 8-9.5) 3.52 8.63 -42.6 0 6 -1 73 418.498 4 ↓
Mid Mid (pH 6-8) 3.52 10.62 -106.29 3 6 2 72 421.522 4 ↓
Mid Mid (pH 6-8) 3.52 8.04 -11.13 1 6 0 70 419.506 4 ↓
Lo Low (pH 4.5-6) 3.52 10.31 -46.85 2 6 1 71 420.514 4 ↓

Activity (Go SEA)

Rings

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

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