UCSF

ZINC16975843

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 19 Yes

Popular Name: 3-(4-Oxo-6-phenyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid 3-(4-Oxo-6-phenyl-1,4-dihydro-py…

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CAS Number: 333413-05-1

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) 2.80 4.97 -111.38 0 5 -2 89 274.301 5 ↓
Mid Mid (pH 6-8) 2.34 7.27 -48.19 2 5 0 87 276.317 5 ↓
Mid Mid (pH 6-8) 2.34 5.99 -46.89 1 5 -1 86 275.309 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

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