UCSF

ZINC28257246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 35 Yes

Popular Name: (2S)-2-[[4-[(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]penta (2S)-2-[[4-[(2-amino-4-hydroxy-7…

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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) -2.10 4.68 -150.38 5 13 -2 209 479.453 10 ↓
Lo Low (pH 4.5-6) -2.10 5.31 -144.57 6 13 -1 210 480.461 10 ↓

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Rings

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

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