UCSF

ZINC13123688

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 Yes

Popular Name: (7S)-5-methyl-N,7-bis(3-pyridyl)-2-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbox (7S)-5-methyl-N,7-bis(3-pyridyl)…

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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) 2.42 9.36 -15.77 2 8 0 98 415.482 4 ↓
Lo Low (pH 4.5-6) 2.60 9.96 -90.42 4 8 2 103 417.498 4 ↓
Lo Low (pH 4.5-6) 2.60 9.68 -39.69 3 8 1 102 416.49 4 ↓
Lo Low (pH 4.5-6) 2.60 9.68 -48.19 3 8 1 102 416.49 4 ↓

Activity (Go SEA)

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