UCSF

ZINC00631186

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Substance Information

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

Popular Name: (5R,7R)-7-(2,4-dichlorophenyl)-5-(p-tolyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5R,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) 4.67 12 -9.59 1 4 0 43 359.26 2 ↓
Mid Mid (pH 6-8) 4.84 13.54 -118.18 3 4 2 49 361.276 2 ↓
Lo Low (pH 4.5-6) 4.67 12.52 -35.69 2 4 1 44 360.268 2 ↓

Activity (Go SEA)

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