UCSF

ZINC09123656

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 32 No

Popular Name: 5-(3-bromophenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-(3-bromophenyl)-3-hydroxy-4-(4…

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Other Names:

MFCD03007971

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) 3.76 10.91 -58.03 0 6 -1 83 492.349 6 ↓
Mid Mid (pH 6-8) 3.76 10.4 -13.01 1 6 0 80 493.357 6 ↓
Mid Mid (pH 6-8) 3.18 10.73 -14.27 0 6 0 77 493.357 6 ↓

Activity (Go SEA)

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