UCSF

ZINC66156818

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 28 No

Popular Name: 4-[4-(3-aminophenyl)buta-1,3-diynyl]-N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]benzamide 4-[4-(3-aminophenyl)buta-1,3-diy…

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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) 0.72 2.95 -16.4 6 7 0 125 377.4 4 ↓
Hi High (pH 8-9.5) 0.90 2.84 -45.51 5 7 -1 131 376.392 4 ↓
Hi High (pH 8-9.5) 0.72 3.97 -56.3 5 7 -1 128 376.392 4 ↓

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

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