UCSF

ZINC62993129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 32 No

Popular Name: (2E)-8-cyclohexyl-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[[4-(diethyl…

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) 5.61 11.12 -41.55 1 5 0 47 433.572 5 ↓
Mid Mid (pH 6-8) 5.61 11.01 -8.06 0 5 0 46 432.564 5 ↓
Lo Low (pH 4.5-6) 5.61 14.09 -88.84 2 5 0 48 434.58 5 ↓

Activity (Go SEA)

Rings

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

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