UCSF

ZINC20064693

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 No

Popular Name: (5S)-4-(4-bromobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(4-bromobenzoyl)-3-hydrox…

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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) 2.40 4.28 -58.49 1 8 -1 102 516.368 7 ↓
Mid Mid (pH 6-8) 2.40 6.64 -70.1 2 8 0 104 517.376 7 ↓

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