UCSF

ZINC06315435

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 No

Popular Name: 3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-o 3-hydroxy-5-(4-methoxyphenyl)-1-…

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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) 1.27 7.34 -48.17 0 8 -1 108 407.431 5 ↓
Mid Mid (pH 6-8) 0.69 6.55 -17.15 0 8 0 102 408.439 5 ↓
Mid Mid (pH 6-8) 1.72 5.55 -27.59 1 8 0 106 408.439 4 ↓

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