UCSF

ZINC13127536

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 Yes

Popular Name: (5S,7S)-5-(4-fluorophenyl)-7-(2-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5S,7S)-5-(4-fluorophenyl)-7-(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) 3.11 9.86 -13.06 1 5 0 52 324.359 3 ↓
Hi High (pH 8-9.5) 3.28 11 -31.42 2 5 1 57 325.367 3 ↓
Lo Low (pH 4.5-6) 3.11 10.37 -37.1 2 5 1 53 325.367 3 ↓

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