UCSF

ZINC39848140

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 38 No

Popular Name: (2S)-4-hydroxy-3-(2-methoxybenzoyl)-1-(3-morpholinopropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-on (2S)-4-hydroxy-3-(2-methoxybenzo…

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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) 2.16 7 -67.18 0 10 -1 110 525.578 11 ↓
Mid Mid (pH 6-8) 2.16 9.28 -77.97 1 10 0 111 526.586 11 ↓
Lo Low (pH 4.5-6) 2.16 8.54 -54.06 2 10 1 108 527.594 11 ↓

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