UCSF

ZINC62993098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 33 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydr (2Z)-2-[[4-(diethylamino)phenyl]…

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) 4.45 10 -51.45 1 6 0 56 449.571 6 ↓
Mid Mid (pH 6-8) 4.45 9.89 -11.02 0 6 0 55 448.563 6 ↓
Lo Low (pH 4.5-6) 4.45 12.92 -105.81 2 6 0 58 450.579 6 ↓

Activity (Go SEA)

Rings

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

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