UCSF

ZINC17991002

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

Popular Name: (4E,5R)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)pyr (4E,5R)-4-[(4-fluorophenyl)-hydr…

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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) 2.04 6.05 -58.67 1 7 -1 103 433.415 6 ↓
Mid Mid (pH 6-8) 2.04 6.87 -14.75 2 7 0 100 434.423 6 ↓
Mid Mid (pH 6-8) 1.46 7.23 -14.59 1 7 0 97 434.423 6 ↓
Lo Low (pH 4.5-6) 2.04 7.15 -48.5 3 7 1 101 435.431 6 ↓
Lo Low (pH 4.5-6) 1.46 7.51 -53.31 2 7 1 98 435.431 6 ↓

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