UCSF

ZINC37718651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 Yes

Popular Name: 2-[[5-propyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[2-(3-pyridyl)eth…

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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) 1.35 9.65 -48.04 0 6 -1 84 305.383 8 ↓
Lo Low (pH 4.5-6) 1.35 10.12 -73.31 1 6 0 85 306.391 8 ↓

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

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