UCSF

ZINC36128301

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 No

Popular Name: (7S)-2-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic (7S)-2-methyl-7-(3,4,5-trimethox…

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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) 0.85 8.82 -61.9 1 9 -1 114 345.335 5 ↓
Lo Low (pH 4.5-6) 0.47 8.01 -26.06 1 9 0 113 346.343 5 ↓

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

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