UCSF

ZINC20309610

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-5-(2-methoxyphenyl)-5H-pyrro (5S)-1-(2-dimethylaminoethyl)-3-…

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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) 2.39 6.45 -82.27 2 8 0 104 426.469 8 ↓
Hi High (pH 8-9.5) 2.39 7.47 -144.88 1 8 -1 106 425.461 8 ↓
Hi High (pH 8-9.5) 2.39 4.95 -138.94 0 8 -2 105 424.453 8 ↓

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