UCSF

ZINC37716889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: [3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanamine [3-(5,7-dimethyl-[1,2,4]triazolo…

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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) 1.78 7.85 -60.05 3 5 1 71 254.317 2 ↓
Hi High (pH 8-9.5) 1.78 7.45 -18.23 2 5 0 69 253.309 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.