UCSF

ZINC22114986

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

Popular Name: ({3-[(Bis-carboxymethyl-amino)-methyl]-2-hydroxy-5-methyl-benzyl}-carboxymethyl-amino)-acetic acid ({3-[(Bis-carboxymethyl-amino)-m…

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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) -4.71 4.12 -188.49 2 11 -3 188 395.344 12 ↓
Hi High (pH 8-9.5) -4.71 6.78 -184.37 2 11 -3 192 395.344 12 ↓
Mid Mid (pH 6-8) -4.71 6.14 -128.21 3 11 -2 190 396.352 12 ↓

Activity (Go SEA)

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