UCSF

ZINC59110540

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 38 No

Popular Name: 3-[5-[[4-(dimethylamino)-4-oxo-butyl]sulfonylamino]-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]pro 3-[5-[[4-(dimethylamino)-4-oxo-b…

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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) 4.24 11.64 -112.51 0 9 -2 127 544.67 17 ↓
Mid Mid (pH 6-8) 4.24 11.45 -58.82 1 9 -1 125 545.678 17 ↓
Lo Low (pH 4.5-6) 4.24 9.49 -27.35 2 9 0 122 546.686 17 ↓

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

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