UCSF

ZINC39849472

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 No

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-morpholinoethyl)-2-(4-propoxyphenyl)-2H-pyrrol-5 (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.64 8.34 -61.58 0 8 -1 95 465.526 10 ↓
Mid Mid (pH 6-8) 2.64 10.6 -74.35 1 8 0 96 466.534 10 ↓
Lo Low (pH 4.5-6) 2.64 9.71 -52.91 2 8 1 94 467.542 10 ↓

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