UCSF

ZINC70093863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 Yes

Popular Name: [5-[(6-methoxy-2-pyridyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(6-methoxy-2-pyridyl)methyls…

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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) 0.49 2.32 -56.16 3 6 1 80 266.35 5 ↓
Hi High (pH 8-9.5) 0.49 1.92 -11.97 2 6 0 79 265.342 5 ↓

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

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