UCSF

ZINC20309386

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 No

Popular Name: (5S)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-5H-pyrrol-2- (5S)-3-hydroxy-4-(2-hydroxy-4-me…

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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) 2.46 6.29 -64.22 1 11 -1 148 496.496 9 ↓
Hi High (pH 8-9.5) 2.46 7.31 -129.44 0 11 -2 151 495.488 9 ↓
Mid Mid (pH 6-8) 2.46 8.62 -86.9 2 11 0 149 497.504 9 ↓

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