UCSF

ZINC66650085

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 26 No

Popular Name: 4-[[ethyl(isopropyl)amino]methyl]-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 4-[[ethyl(isopropyl)amino]methyl…

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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) 1.74 9.9 -48.39 3 6 1 67 376.55 8 ↓
Mid Mid (pH 6-8) 2.46 9.71 -67.48 2 6 0 64 375.542 8 ↓

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

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