UCSF

ZINC01154322

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 34 No

Popular Name: (5S)-2-keto-4-(4-methoxy-2-methyl-benzoyl)-5-(4-nitrophenyl)-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-2-keto-4-(4-methoxy-2-methy…

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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) 2.93 10.97 -54.2 0 9 -1 128 458.45 7 ↓
Mid Mid (pH 6-8) 3.38 9.67 -32.62 1 9 0 126 459.458 6 ↓
Mid Mid (pH 6-8) 2.35 10.9 -23.75 0 9 0 122 459.458 7 ↓
Lo Low (pH 4.5-6) 3.38 9.95 -76.69 2 9 1 127 460.466 6 ↓
Lo Low (pH 4.5-6) 2.35 11.18 -70.06 1 9 1 124 460.466 7 ↓

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