UCSF

ZINC41585861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]ben (2Z)-6-hydroxy-4-methyl-2-[(3-me…

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) 4.27 9.35 -34.82 2 6 1 71 448.568 4 ↓
Hi High (pH 8-9.5) 4.27 9.8 -44.45 0 6 -1 73 446.552 4 ↓
Mid Mid (pH 6-8) 4.27 10.11 -52.11 1 6 0 74 447.56 4 ↓
Mid Mid (pH 6-8) 4.27 9.03 -10.03 1 6 0 70 447.56 4 ↓
Mid Mid (pH 6-8) 4.27 11.26 -45.89 2 6 1 71 448.568 4 ↓
Lo Low (pH 4.5-6) 4.27 11.57 -103.97 3 6 2 72 449.576 4 ↓

Activity (Go SEA)

Rings

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

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