UCSF

ZINC35017630

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-8-[(5-methylisoxazol-3-yl)meth (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.64 2.64 -13.97 2 9 0 117 441.463 5 ↓
Mid Mid (pH 6-8) 1.64 3.25 -54.6 1 9 -1 120 440.455 5 ↓
Lo Low (pH 4.5-6) 1.64 4.35 -45.29 3 9 1 119 442.471 5 ↓

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

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