UCSF

ZINC38300502

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 34 No

Popular Name: calcium N-(4-{[(2-amino-5-formyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydropteridin-6-yl)methyl]amino}benzoyl)glutamate calcium N-(4-{[(2-amino-5-formyl…

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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) -3.83 0.21 -165.95 5 14 -3 225 472.438 9 ↓
Mid Mid (pH 6-8) -4.14 0.87 -129.2 6 14 -2 221 473.446 9 ↓
Mid Mid (pH 6-8) -4.14 0.91 -163.74 5 14 -3 219 472.438 9 ↓
Lo Low (pH 4.5-6) -4.14 -1.11 -75.17 7 14 -1 218 474.454 9 ↓
Lo Low (pH 4.5-6) -4.14 2.06 -165.6 7 14 -1 226 474.454 9 ↓

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

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