UCSF

ZINC67934865

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine N-methyl-N-[(1-methylimidazol-2-…

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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) 1.90 10.17 -90.92 3 6 2 65 336.443 4 ↓
Hi High (pH 8-9.5) 1.90 8.84 -33.03 2 6 1 60 335.435 4 ↓
Hi High (pH 8-9.5) 1.90 8.25 -10.93 1 6 0 59 334.427 4 ↓
Hi High (pH 8-9.5) 1.90 9.58 -57.07 2 6 1 63 335.435 4 ↓

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Rings

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

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