UCSF

ZINC40028053

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 No

Popular Name: (2S)-1-allyl-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one (2S)-1-allyl-3-(2,3-dihydro-1,4-…

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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) 2.47 8.59 -55.15 0 9 -1 125 421.385 6 ↓
Lo Low (pH 4.5-6) 2.47 7.84 -16.97 1 9 0 122 422.393 6 ↓

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