UCSF

ZINC16753584

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 32 No

Popular Name: (5R)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-phenyl-1-(4-pyridylmethyl)-5H-pyrrol-2- (5R)-4-(2,3-dihydro-1,4-benzodio…

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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) 2.00 8.08 -61.99 0 7 -1 92 427.436 5 ↓
Mid Mid (pH 6-8) 2.44 7.05 -29.27 1 7 0 89 428.444 4 ↓
Mid Mid (pH 6-8) 1.41 8.03 -26.54 0 7 0 86 428.444 5 ↓
Lo Low (pH 4.5-6) 2.44 7.34 -54.36 2 7 1 90 429.452 4 ↓
Lo Low (pH 4.5-6) 1.41 8.32 -53.72 1 7 1 87 429.452 5 ↓

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