UCSF

ZINC00949703

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic-acid-benz (7S)-7-(2-chlorophenyl)-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) 4.11 14.22 -9.92 1 6 0 69 380.835 5 ↓
Ref Reference (pH 7) 4.29 13.05 -18.27 1 6 0 72 380.835 5 ↓
Hi High (pH 8-9.5) 4.29 14 -37.7 0 6 -1 71 379.827 5 ↓
Mid Mid (pH 6-8) 4.29 13.43 -32.24 2 6 1 74 381.843 5 ↓
Lo Low (pH 4.5-6) 4.29 13.55 -49.46 2 6 1 74 381.843 5 ↓
Lo Low (pH 4.5-6) 4.29 14.51 -14.9 1 6 0 72 380.835 5 ↓

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

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