UCSF

ZINC39849086

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 No

Popular Name: (2S)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholinoethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-on (2S)-4-hydroxy-2-(2-methoxypheny…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.64 9.21 -49.41 0 7 -1 82 447.511 8 ↓
Mid Mid (pH 6-8) 2.64 11.48 -55.82 1 7 0 83 448.519 8 ↓
Lo Low (pH 4.5-6) 2.64 10.74 -43.31 2 7 1 81 449.527 8 ↓

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