UCSF

ZINC04075155

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 30 Yes

Popular Name: 4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-hydroxy-2-methyl-N-(5-methyl-2-pyridyl)-4,6,7,8-tetrahydroquinol 4-(1-ethyl-5-methyl-pyrazol-4-yl…

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Vendors

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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) 2.43 -1.86 -19.37 1 7 0 89 405.502 4 ↓
Mid Mid (pH 6-8) 2.43 -2.53 -15.47 1 7 0 89 405.502 4 ↓
Mid Mid (pH 6-8) 2.59 -3.72 -15.24 1 7 0 89 405.502 4 ↓
Lo Low (pH 4.5-6) 2.43 -2.88 -37 2 7 1 90 406.51 4 ↓
Lo Low (pH 4.5-6) 2.43 -2.24 -31.23 2 7 1 90 406.51 4 ↓
Lo Low (pH 4.5-6) 2.59 -4.08 -34.26 2 7 1 90 406.51 4 ↓

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