UCSF

ZINC00633960

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 24 Yes

Popular Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin (5S,7R)-7-(2,4-dichlorophenyl)-5…

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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) 4.38 12.75 -8.05 1 4 0 43 363.223 2 ↓
Mid Mid (pH 6-8) 4.56 13.28 -35.43 2 4 1 48 364.231 2 ↓
Lo Low (pH 4.5-6) 4.56 12.87 -48.08 2 4 1 47 364.231 2 ↓

Activity (Go SEA)

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