UCSF

ZINC67515407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: 4-[4-[(2-methylimidazol-1-yl)methyl]-1-piperidyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 4-[4-[(2-methylimidazol-1-yl)met…

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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) 0.76 9.05 -84.27 3 6 2 65 314.437 3 ↓
Hi High (pH 8-9.5) 0.76 8.57 -51.75 2 6 1 63 313.429 3 ↓
Hi High (pH 8-9.5) 0.76 7.26 -10.24 1 6 0 59 312.421 3 ↓

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

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