UCSF

ZINC62767945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 17 Yes

Popular Name: 1-[2-(tetrahydropyran-4-ylamino)ethyl]pyrimidine-2,4-dione 1-[2-(tetrahydropyran-4-ylamino)…

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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) -0.77 1.58 -60.33 3 6 1 81 240.283 4 ↓
Hi High (pH 8-9.5) -0.32 -2.15 -50.37 1 6 -1 79 238.267 4 ↓
Hi High (pH 8-9.5) -0.32 -0.98 -70.4 2 6 0 84 239.275 4 ↓

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

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