UCSF

ZINC01890423

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 30 Yes

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

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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) 2.14 8.15 -13.57 3 8 0 105 424.892 6 ↓
Mid Mid (pH 6-8) 2.31 8.49 -50.61 4 8 1 109 425.9 6 ↓
Lo Low (pH 4.5-6) 2.14 -4.39 -50.69 4 8 1 106 425.9 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.