UCSF

ZINC00645586

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

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

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Other Names:

MFCD03545694

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) 2.70 9.97 -12.64 2 8 0 98 415.482 4 ↓
Hi High (pH 8-9.5) 2.88 9.8 -42.25 1 8 -1 99 414.474 4 ↓
Lo Low (pH 4.5-6) 2.70 -2.52 -42.89 3 8 1 98 416.49 4 ↓

Activity (Go SEA)

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