UCSF

ZINC52895941

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 No

Popular Name: 2-[[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]amino]acetyl]amino]benzamide 2-[[2-[ethyl-[2-[(4-fluorophenyl…

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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) 1.83 5.15 -42.73 5 7 1 106 387.435 9 ↓
Hi High (pH 8-9.5) 1.83 3.16 -16.04 4 7 0 105 386.427 9 ↓
Hi High (pH 8-9.5) 1.65 4.48 -43.74 4 7 0 112 386.427 9 ↓

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

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