UCSF

ZINC67072015

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 24 No

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

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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) 1.48 8.6 -18.18 2 8 0 109 347.4 6 ↓
Mid Mid (pH 6-8) 2.21 8.41 -45.68 1 8 -1 106 346.392 6 ↓

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

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