UCSF

ZINC00949746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 Yes

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

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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) 1.40 8.91 -13.18 2 9 0 103 392.419 5 ↓
Lo Low (pH 4.5-6) 1.40 -0.35 -44.43 3 9 1 104 393.427 5 ↓
Lo Low (pH 4.5-6) 1.58 9.38 -62.75 3 9 1 108 393.427 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.