UCSF

ZINC13509110

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 Yes

Popular Name: Calcium 2-(4-(((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioate Calcium 2-(4-(((2-amino-5-methyl…

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CAS Number: 26560-38-3

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) -2.42 4.78 -137.53 6 13 -2 208 457.447 9 ↓
Mid Mid (pH 6-8) -2.42 4.85 -142.2 7 13 -1 210 458.455 9 ↓
Lo Low (pH 4.5-6) -2.42 2.84 -95.77 8 13 0 207 459.463 9 ↓

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