UCSF

ZINC16737212

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 No

Popular Name: (5S)-3-hydroxy-1-(3-hydroxypropyl)-5-(4-methoxyphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one (5S)-3-hydroxy-1-(3-hydroxypropy…

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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) 3.01 5.57 -14.99 2 7 0 96 425.481 10 ↓
Mid Mid (pH 6-8) 2.42 6.25 -22.16 1 7 0 93 425.481 10 ↓

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