UCSF

ZINC38138577

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 34 No

Popular Name: (2S)-2-[[4-[(2-amino-4-oxo-8H-pteridin-6-yl)methylamino]-3,5-dibromo-benzoyl]amino]pentanedioic (2S)-2-[[4-[(2-amino-4-oxo-8H-pt…

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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) -0.90 5.38 -122.58 5 13 -2 219 597.18 9 ↓
Hi High (pH 8-9.5) -0.44 3.2 -169.86 4 13 -3 222 596.172 9 ↓
Lo Low (pH 4.5-6) -0.90 3.4 -66.84 6 13 -1 216 598.188 9 ↓

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

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