UCSF

ZINC00645589

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Popular Name: 2-(2-chlorophenyl)-7-(4-chlorophenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 2-(2-chlorophenyl)-7-(4-chloroph…

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Other Names:

MFCD03545607

Download: MOL2 SDF SMILES Flexibase

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) 5.18 14.04 -12.07 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.36 13.71 -42.48 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.36 14.22 -37.85 3 7 1 90 478.363 4 ↓
Lo Low (pH 4.5-6) 5.18 14.35 -43.39 3 7 1 86 478.363 4 ↓

Activity (Go SEA)

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