UCSF

ZINC00645583

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

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

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Other Names:

MFCD03545647

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) 5.32 13.68 -10.31 2 7 0 85 495.345 4 ↓
Hi High (pH 8-9.5) 5.50 13.33 -34.24 1 7 -1 86 494.337 4 ↓
Mid Mid (pH 6-8) 5.50 13.84 -40.81 3 7 1 90 496.353 4 ↓
Lo Low (pH 4.5-6) 5.32 13.69 -46.66 3 7 1 86 496.353 4 ↓

Activity (Go SEA)

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