UCSF

ZINC52429227

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 30 No

Popular Name: (3E)-3-[(2E,4Z,6S)-1-hydroxy-4-methyl-6-[trimethyl(oxo)BLAHyl]hepta-2,4-dienylidene]pyrrolidine-2,4- (3E)-3-[(2E,4Z,6S)-1-hydroxy-4-m…

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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) -0.29 2.1 -57.23 1 8 -1 117 416.45 5 ↓
Lo Low (pH 4.5-6) -0.87 2.37 -17.02 1 8 0 111 417.458 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.