UCSF

ZINC00626495

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 Yes

Popular Name: [(7S)-7-(4-bromophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-yl]amine [(7S)-7-(4-bromophenyl)-5-phenyl…

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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) 3.71 12.42 -29.48 3 5 1 70 369.246 2 ↓
Mid Mid (pH 6-8) 3.71 11.92 -14.04 2 5 0 69 368.238 2 ↓
Mid Mid (pH 6-8) 3.71 13.03 -29.57 4 5 1 74 369.246 2 ↓

Activity (Go SEA)

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