UCSF

ZINC17179921

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 No

Popular Name: (4E,5R)-4-[hydroxy-(p-tolyl)methylene]-5-(4-isopropylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2, (4E,5R)-4-[hydroxy-(p-tolyl)meth…

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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) 4.75 10.91 -55.75 0 6 -1 86 418.498 5 ↓
Mid Mid (pH 6-8) 4.17 11.16 -11.81 0 6 0 80 419.506 5 ↓
Mid Mid (pH 6-8) 5.20 9.84 -24.87 1 6 0 83 419.506 4 ↓

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