UCSF

ZINC17163089

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Substance Information

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

Popular Name: (4E,5R)-5-(4-bromophenyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrol (4E,5R)-5-(4-bromophenyl)-4-[(2,…

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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) 2.46 9.28 -54.67 0 6 -1 86 483.367 5 ↓
Mid Mid (pH 6-8) 2.46 8.92 -12.16 1 6 0 83 484.375 5 ↓
Mid Mid (pH 6-8) 1.87 9.4 -13.18 0 6 0 80 484.375 5 ↓
Lo Low (pH 4.5-6) 2.46 9.2 -44.49 2 6 1 85 485.383 5 ↓
Lo Low (pH 4.5-6) 1.87 9.68 -50.26 1 6 1 81 485.383 5 ↓

Activity (Go SEA)

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