UCSF

ZINC16731120

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5R)-5-(4-benzyloxyphenyl)-4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-o (5R)-5-(4-benzyloxyphenyl)-4-(3-…

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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) 4.68 12.17 -14.44 1 6 0 80 508.549 8 ↓
Mid Mid (pH 6-8) 4.10 12.84 -22.53 0 6 0 77 508.549 8 ↓
Lo Low (pH 4.5-6) 5.13 12.13 -57.4 2 6 1 81 509.557 7 ↓
Lo Low (pH 4.5-6) 4.10 13.12 -52.87 1 6 1 78 509.557 8 ↓

Activity (Go SEA)

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