UCSF

ZINC16731155

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5R)-5-(4-butoxyphenyl)-1-(2-diethylaminoethyl)-4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-5H-pyrrol-2- (5R)-5-(4-butoxyphenyl)-1-(2-die…

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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) 5.19 13.14 -63.92 1 6 0 74 482.596 12 ↓
Hi High (pH 8-9.5) 5.19 10.82 -56.42 0 6 -1 73 481.588 12 ↓
Mid Mid (pH 6-8) 5.64 12 -53.78 2 6 1 71 483.604 11 ↓
Mid Mid (pH 6-8) 4.61 12.98 -52.8 1 6 1 68 483.604 12 ↓

Activity (Go SEA)

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