UCSF

ZINC66066210

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 32 No

Popular Name: (2R,3R)-3-hydroxy-2-[1-oxo-5-[4-(2-phenylethynyl)phenyl]isoindolin-2-yl]butanehydroxamic (2R,3R)-3-hydroxy-2-[1-oxo-5-[4-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.67 10.1 -27.54 3 6 0 90 426.472 4 ↓
Hi High (pH 8-9.5) 2.86 8.81 -63.17 2 6 -1 96 425.464 4 ↓
Hi High (pH 8-9.5) 2.67 11.11 -74.59 2 6 -1 93 425.464 4 ↓

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

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