UCSF

ZINC01889814

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 Yes

Popular Name: 3-[(7R)-7-(4-chlorophenyl)-5-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-y 3-[(7R)-7-(4-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) 3.75 10.43 -33.77 2 6 1 74 397.886 6 ↓
Mid Mid (pH 6-8) 3.76 10.8 -34.71 3 6 1 77 397.886 6 ↓
Mid Mid (pH 6-8) 3.75 9.95 -15.96 1 6 0 73 396.878 6 ↓
Lo Low (pH 4.5-6) 3.76 10.27 -40.45 2 6 1 74 397.886 6 ↓

Activity (Go SEA)

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