UCSF

ZINC13691628

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

Popular Name: (5S)-5-(3-chlorophenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol- (5S)-5-(3-chlorophenyl)-4-(2,4-d…

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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) 2.30 9.05 -57.38 0 6 -1 86 438.916 5 ↓
Mid Mid (pH 6-8) 2.75 8.02 -28.19 1 6 0 83 439.924 4 ↓
Mid Mid (pH 6-8) 1.72 9 -20.05 0 6 0 80 439.924 5 ↓
Lo Low (pH 4.5-6) 2.75 8.3 -63.33 2 6 1 85 440.932 4 ↓
Lo Low (pH 4.5-6) 1.72 9.28 -63.45 1 6 1 81 440.932 5 ↓

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