UCSF

ZINC69975052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 Yes

Popular Name: 2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxy-pyran-4-one 2-[[5-(4-chlorophenyl)-4H-1,2,4-…

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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) 2.54 6.01 -17.99 2 6 0 92 335.772 4 ↓
Mid Mid (pH 6-8) 2.54 6.8 -54.59 1 6 -1 95 334.764 4 ↓

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

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