UCSF

ZINC02918777

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 23 Yes

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

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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) 4.65 13.28 -7.84 1 4 0 43 436.684 2 ↓
Mid Mid (pH 6-8) 4.82 13.82 -32.03 2 4 1 48 437.692 2 ↓
Lo Low (pH 4.5-6) 4.82 13.41 -44.81 2 4 1 47 437.692 2 ↓

Activity (Go SEA)

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