UCSF

ZINC65528278

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: N-[(2-aminopyrimidin-5-yl)methyl]-N-methyl-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine N-[(2-aminopyrimidin-5-yl)methyl…

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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) 2.29 11.13 -10.48 2 7 0 84 333.399 4 ↓
Mid Mid (pH 6-8) 2.29 11.46 -31.28 3 7 1 85 334.407 4 ↓
Mid Mid (pH 6-8) 2.29 11.45 -31.77 3 7 1 85 334.407 4 ↓

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

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