UCSF

ZINC39848362

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-4-hydroxy-3-(2-methoxybenzoyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one (2S)-1-(2-dimethylaminoethyl)-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) 2.35 10.59 -72.69 1 9 0 120 425.441 8 ↓
Lo Low (pH 4.5-6) 2.35 9.84 -55.73 2 9 1 117 426.449 8 ↓

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