UCSF

ZINC12468409

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 34 Yes

Popular Name: 7-(1,3-benzodioxol-5-yl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(1,3-benzodioxol-5-yl)-2-(3-hy…

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Other Names:

MFCD03847722

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) 2.65 7.47 -14.67 3 10 0 120 463.494 7 ↓
Mid Mid (pH 6-8) 2.82 7.95 -49.23 4 10 1 124 464.502 7 ↓
Mid Mid (pH 6-8) 2.82 7.52 -43.95 2 10 -1 121 462.486 7 ↓

Activity (Go SEA)

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