UCSF

ZINC13122699

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 Yes

Popular Name: N-[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide N-[(7R)-7-(4-methoxyphenyl)-5-ph…

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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) 2.69 12.22 -23.01 1 7 0 81 361.405 4 ↓
Mid Mid (pH 6-8) 2.69 12.56 -41.26 2 7 1 83 362.413 4 ↓
Mid Mid (pH 6-8) 3.22 11.91 -95.61 4 7 2 91 363.421 4 ↓
Mid Mid (pH 6-8) 3.21 10.88 -33.79 2 7 1 87 362.413 4 ↓
Lo Low (pH 4.5-6) 2.70 12.94 -34.28 3 7 1 86 362.413 4 ↓

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