UCSF

ZINC67050654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 25 No

Popular Name: (E)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-[2-[(1S)-1-methylpropoxy]phenyl]prop-2-enami (E)-N-[(4-ethyl-5-sulfanyl-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) 2.23 9.39 -15.64 2 6 0 72 360.483 8 ↓
Mid Mid (pH 6-8) 2.96 9.18 -46.64 1 6 -1 69 359.475 8 ↓

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

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