UCSF

ZINC63956305

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 14 No

Popular Name: (3S)-3-methyl-5-oxo-2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic (3S)-3-methyl-5-oxo-2,3-dihydro-…

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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) -1.11 3.66 -42.55 1 7 0 97 195.158 1 ↓
Lo Low (pH 4.5-6) -1.11 4.07 -43.91 2 7 0 99 196.166 1 ↓

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

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