UCSF

ZINC20358691

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 No

Popular Name: (2S)-3-(1H-imidazol-4-yl)-2-[[(E)-[1-(4-isopropylphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yli (2S)-3-(1H-imidazol-4-yl)-2-[[(E…

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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) -0.52 10.06 -47.82 3 9 -1 136 426.478 7 ↓
Ref Reference (pH 7) -0.52 10.05 -44.25 3 9 -1 136 426.478 7 ↓
Mid Mid (pH 6-8) -0.52 10.52 -55.45 4 9 0 137 427.486 7 ↓
Mid Mid (pH 6-8) -0.52 10.55 -56.58 4 9 0 137 427.486 7 ↓

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

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