UCSF

ZINC13549545

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 Yes

Popular Name: 5-[[3-carboxy-4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]methyl]-2-[(4-hydroxy-4-oxo-butanoyl)amino]b 5-[[3-carboxy-4-[(4-hydroxy-4-ox…

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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) 1.87 11.53 -248.04 2 12 -4 219 482.401 12 ↓
Lo Low (pH 4.5-6) 1.87 9.55 -180.06 3 12 -3 216 483.409 12 ↓

Activity (Go SEA)

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