UCSF

ZINC65536005

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 4-[3,4-bis(allyloxy)benzylidene]-2-{3-nitrophenyl}-1,3-oxazol-5(4H)-one 4-[3,4-bis(allyloxy)benzylidene]…

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Other Names:

MFCD01054632

Download: MOL2 SDF SMILES Flexibase

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) 2.95 7.2 -48.22 3 5 1 64 302.398 5 ↓
Hi High (pH 8-9.5) 2.95 5.85 -7.23 2 5 0 59 301.39 5 ↓
Lo Low (pH 4.5-6) 2.95 7.68 -104.45 4 5 2 65 303.406 5 ↓

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

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