UCSF

ZINC41646012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2Z)-8-(2-furylmethyl)-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-(2-furylmethyl)-4-methyl-…

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) 3.82 9.1 -13.28 0 8 0 102 418.405 4 ↓
Lo Low (pH 4.5-6) 3.82 11.93 -58.84 1 8 1 103 419.413 4 ↓

Activity (Go SEA)

Rings

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

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