UCSF

ZINC67973860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-(3-pyridyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ami N-[(1R)-1-(1-methylimidazol-2-yl…

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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) 2.20 9.28 -96.09 4 7 2 86 365.485 6 ↓
Hi High (pH 8-9.5) 2.20 7.04 -10.62 2 7 0 81 363.469 6 ↓
Hi High (pH 8-9.5) 2.20 8.39 -48.68 3 7 1 85 364.477 6 ↓

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

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