UCSF

ZINC62993134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 30 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-isobutyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 4.82 11 -49.4 1 5 0 47 407.534 6 ↓
Mid Mid (pH 6-8) 4.82 10.7 -8.28 0 5 0 46 406.526 6 ↓
Lo Low (pH 4.5-6) 4.82 13.32 -108.61 2 5 0 48 408.542 6 ↓

Activity (Go SEA)

Rings

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

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