UCSF

ZINC00633974

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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-iodophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (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) 5.30 13.78 -7.16 1 4 0 43 471.129 2 ↓
Mid Mid (pH 6-8) 5.48 14.31 -34.63 2 4 1 48 472.137 2 ↓
Lo Low (pH 4.5-6) 5.48 13.9 -46.99 2 4 1 47 472.137 2 ↓

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