UCSF

ZINC13127822

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 Yes

Popular Name: (6E)-6-[(7R)-7-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-ylidene]cyclohexa-2,4-dien-1- (6E)-6-[(7R)-7-phenyl-6,7-dihydr…

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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) 3.04 9.82 -14.11 1 5 0 63 290.326 2 ↓
Hi High (pH 8-9.5) 3.04 10.59 -54.43 0 5 -1 66 289.318 2 ↓
Mid Mid (pH 6-8) 3.04 9.69 -32.5 2 5 1 65 291.334 2 ↓
Lo Low (pH 4.5-6) 2.49 11.37 -69.89 2 5 1 64 291.334 1 ↓

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