UCSF

ZINC00723830

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

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

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Other Names:

MFCD02971538

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) 4.66 13.24 -10.86 2 7 0 85 487.361 4 ↓
Hi High (pH 8-9.5) 4.83 12.92 -40.97 1 7 -1 86 486.353 4 ↓
Mid Mid (pH 6-8) 4.83 13.42 -33.83 3 7 1 90 488.369 4 ↓
Lo Low (pH 4.5-6) 4.66 13.54 -40.06 3 7 1 86 488.369 4 ↓

Activity (Go SEA)

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