UCSF

ZINC00949717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 Yes

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

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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) 5.33 15.1 -12.78 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.50 14.05 -37.75 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.50 14.77 -29.58 3 7 1 90 478.363 4 ↓
Lo Low (pH 4.5-6) 5.33 14.85 -31.71 3 7 1 86 478.363 4 ↓

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Rings

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

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