UCSF

ZINC33777476

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 No

Popular Name: (4Z,5S)-1-benzyl-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2 (4Z,5S)-1-benzyl-5-(3-bromo-4-hy…

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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) 2.79 8.6 -52.04 1 7 -1 103 494.321 6 ↓
Mid Mid (pH 6-8) 2.79 9.37 -103.58 0 7 -2 106 493.313 6 ↓
Lo Low (pH 4.5-6) 2.79 7.31 -19.77 2 7 0 100 495.329 6 ↓

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