UCSF

ZINC00949728

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 Yes

Popular Name: (7S)-7-(4-bromophenyl)-5-methyl-2-phenyl-N-(2-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine- (7S)-7-(4-bromophenyl)-5-methyl-…

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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) 4.85 14.7 -14.13 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 5.03 13.84 -40.19 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 5.03 14.34 -31.64 3 7 1 90 488.369 4 ↓
Lo Low (pH 4.5-6) 4.85 14.48 -35.98 3 7 1 86 488.369 4 ↓

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Rings

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

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