UCSF

ZINC08440495

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

Popular Name: 5-[4-(allyloxy)-3-methoxyphenyl]-4-(2-furoyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 5-[4-(allyloxy)-3-methoxyphenyl]…

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Other Names:

MFCD03837919

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) 2.18 1.01 -18.53 1 8 0 98 427.453 11 ↓
Mid Mid (pH 6-8) 1.60 0.91 -26.36 0 8 0 95 427.453 11 ↓

Activity (Go SEA)

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