UCSF

ZINC62801309

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 Yes

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

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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) 0.35 5.33 -21.37 3 7 0 107 282.325 4 ↓
Mid Mid (pH 6-8) 0.35 6.19 -55.91 2 7 -1 110 281.317 4 ↓

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

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