UCSF

ZINC40102323

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(4-allyloxy-3-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5- (2S)-3-(3-allyloxybenzoyl)-2-(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) 2.71 6.61 -68.03 1 8 -1 108 464.494 12 ↓
Lo Low (pH 4.5-6) 2.71 5.85 -21.4 2 8 0 106 465.502 12 ↓

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