UCSF

ZINC66637190

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 No

Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-ca N-[(4-ethyl-5-sulfanyl-1,2,4-tri…

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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) -0.81 7.79 -23.18 2 9 0 106 332.393 4 ↓
Mid Mid (pH 6-8) -0.08 7.56 -56.26 1 9 -1 103 331.385 4 ↓

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

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