UCSF

ZINC65534933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: [5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-furyl]BLAHone [5-[(4-methyl-1,2,4-triazol-3-yl…

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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) 1.87 9.31 -24.89 1 8 0 90 380.433 3 ↓
Mid Mid (pH 6-8) 1.87 9.75 -42.86 2 8 1 92 381.441 3 ↓

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

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