UCSF

ZINC67514154

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

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

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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) 0.88 8.56 -97.26 4 7 2 86 337.431 5 ↓
Hi High (pH 8-9.5) 0.88 6.69 -10.61 2 7 0 81 335.415 5 ↓
Mid Mid (pH 6-8) 0.88 8.05 -53.71 3 7 1 85 336.423 5 ↓

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

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