UCSF

ZINC13451513

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-5-(3-pyridyl)-5H-pyrrol-2 (5R)-1-(3-dimethylaminopropyl)-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) 2.61 9.92 -73.84 1 7 0 87 437.54 9 ↓
Mid Mid (pH 6-8) 3.06 8.85 -56.81 2 7 1 84 438.548 8 ↓
Mid Mid (pH 6-8) 2.03 9.84 -57.22 1 7 1 81 438.548 9 ↓
Lo Low (pH 4.5-6) 3.06 9.14 -123.69 3 7 2 85 439.556 8 ↓
Lo Low (pH 4.5-6) 2.03 10.13 -120.28 2 7 2 82 439.556 9 ↓

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