UCSF

ZINC13127510

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 31 No

Popular Name: 1-[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrr 1-[(7R)-5-(4-chlorophenyl)-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) 2.33 14.34 -26.95 0 8 0 90 435.871 4 ↓
Hi High (pH 8-9.5) 2.33 14.72 -62.24 0 8 -1 91 434.863 4 ↓
Mid Mid (pH 6-8) 2.33 15.21 -28.89 2 8 1 94 436.879 4 ↓
Mid Mid (pH 6-8) 2.33 14.68 -45.44 1 8 1 91 436.879 4 ↓
Mid Mid (pH 6-8) 1.32 8.16 -37.32 1 5 1 47 330.452 3 ↓
Lo Low (pH 4.5-6) 2.33 14.82 -31.25 1 8 1 91 436.879 4 ↓

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