UCSF

ZINC62999639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: 5-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(1R)-2-hydroxy-1-phenyl-eth…

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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) -0.11 4.01 -50.13 3 6 1 81 290.343 5 ↓
Mid Mid (pH 6-8) -0.11 2.89 -16.51 2 6 0 76 289.335 5 ↓

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

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