UCSF

ZINC06144548

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 37 Yes

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

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Other Names:

MFCD03545786

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) 3.33 10.92 -15.38 3 9 0 114 496.571 9 ↓
Mid Mid (pH 6-8) 3.51 11.21 -54.12 4 9 1 119 497.579 9 ↓
Lo Low (pH 4.5-6) 3.33 11.23 -44.83 4 9 1 115 497.579 9 ↓

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