UCSF

ZINC20309321

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 No

Popular Name: (5S)-3-hydroxy-4-(2-hydroxy-5-methyl-benzoyl)-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-5H-pyrrol-2-o (5S)-3-hydroxy-4-(2-hydroxy-5-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) 2.82 7.42 -51.27 1 10 -1 139 480.497 8 ↓
Hi High (pH 8-9.5) 2.82 8.26 -128.87 0 10 -2 142 479.489 8 ↓
Mid Mid (pH 6-8) 2.82 9.75 -70.86 2 10 0 140 481.505 8 ↓

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