UCSF

ZINC06144544

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 30 Yes

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

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Other Names:

MFCD03545770

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) 2.49 8.28 -12.61 3 8 0 105 469.343 6 ↓
Mid Mid (pH 6-8) 2.66 8.76 -52.19 4 8 1 109 470.351 6 ↓
Lo Low (pH 4.5-6) 2.49 8.54 -43.76 4 8 1 106 470.351 6 ↓

Activity (Go SEA)

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