UCSF

ZINC37312920

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 No

Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-3-(1H-tetrazol-5-yl)aniline N-[[5-(methylsulfanylmethyl)-2-f…

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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) 2.59 5.68 -44.46 1 6 -1 78 300.367 6 ↓
Lo Low (pH 4.5-6) 2.59 5.75 -11.21 2 6 0 80 301.375 6 ↓

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

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