UCSF

ZINC13127445

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 Yes

Popular Name: (5R,7R)-5,7-bis(4-fluorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5R,7R)-5,7-bis(4-fluorophenyl)-…

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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) 3.26 10.53 -11.97 1 4 0 43 312.323 2 ↓
Mid Mid (pH 6-8) 3.44 11.9 -125.5 3 4 2 49 314.339 2 ↓
Lo Low (pH 4.5-6) 3.44 10.99 -49 2 4 1 47 313.331 2 ↓

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