UCSF

ZINC01120271

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 34 No

Popular Name: (5S)-5-(4-carbomethoxyphenyl)-4-(4-ethoxybenzoyl)-2-keto-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-pyr (5S)-5-(4-carbomethoxyphenyl)-4-…

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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) 3.36 10.03 -44.06 0 8 -1 105 464.494 9 ↓
Mid Mid (pH 6-8) 3.80 8.65 -34.61 1 8 0 102 465.502 8 ↓
Mid Mid (pH 6-8) 2.77 9.61 -28.26 0 8 0 99 465.502 9 ↓

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