UCSF

ZINC00949713

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 Yes

Popular Name: (7S)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxa (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) 4.11 12.48 -8.91 2 6 0 72 400.269 3 ↓
Mid Mid (pH 6-8) 4.29 12.58 -55.58 3 6 1 76 401.277 3 ↓
Lo Low (pH 4.5-6) 4.14 11.05 -38.77 2 6 -1 78 399.261 3 ↓

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

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