UCSF

ZINC00631178

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Substance Information

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

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

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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) 4.89 11.84 -10.51 1 4 0 43 379.678 2 ↓
Mid Mid (pH 6-8) 5.07 12.63 -35.1 2 4 1 48 380.686 2 ↓
Lo Low (pH 4.5-6) 5.07 12.61 -46.78 2 4 1 47 380.686 2 ↓

Activity (Go SEA)

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