UCSF

ZINC09072872

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 35 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-3-h…

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Other Names:

MFCD03293204

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) 3.84 7.65 -64.34 1 8 -1 108 482.553 12 ↓
Mid Mid (pH 6-8) 3.26 8.31 -14.53 1 8 0 102 483.561 12 ↓
Mid Mid (pH 6-8) 4.29 7.98 -13.82 2 8 0 106 483.561 11 ↓

Activity (Go SEA)

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