UCSF

ZINC00949451

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 No

Popular Name: (7S)-5-methyl-7-(3-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic-acid-benzy (7S)-5-methyl-7-(3-nitrophenyl)-…

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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) 3.41 14.5 -12.22 1 9 0 115 391.387 6 ↓
Lo Low (pH 4.5-6) 3.59 14.88 -59.74 2 9 1 119 392.395 6 ↓

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

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