UCSF

ZINC13597644

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 36 No

Popular Name: (5S)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-5H-pyrrol-2-o (5S)-3-hydroxy-4-(4-methoxy-2-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) 2.92 9.06 -55.21 0 10 -1 128 494.524 9 ↓
Mid Mid (pH 6-8) 3.36 10.09 -74.78 2 10 1 126 496.54 8 ↓
Mid Mid (pH 6-8) 2.33 11.32 -69.15 1 10 1 123 496.54 9 ↓
Mid Mid (pH 6-8) 2.92 11.39 -75.89 1 10 0 129 495.532 9 ↓

Activity (Go SEA)

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