UCSF

ZINC67049987

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 22 No

Popular Name: (E)-N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (E)-N-[(4-methyl-5-sulfanyl-1,2,…

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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) 1.80 8.51 -14.51 2 5 0 63 316.43 4 ↓
Mid Mid (pH 6-8) 2.53 8.3 -43.93 1 5 -1 60 315.422 4 ↓

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

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