UCSF

ZINC27988012

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 36 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrro (5S)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 3.84 9.54 -62.39 0 8 -1 97 496.58 12 ↓
Lo Low (pH 4.5-6) 3.84 8.72 -19.58 1 8 0 95 497.588 12 ↓

Activity (Go SEA)

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