UCSF

ZINC36972371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Popular Name: (2S)-3-(1H-imidazol-4-yl)-2-[[(3S)-1-methyl-5-oxo-pyrrolidine-3-carbonyl]amino]propanoic (2S)-3-(1H-imidazol-4-yl)-2-[[(3…

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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) -2.92 3.96 -67.78 3 8 0 119 280.284 5 ↓
Mid Mid (pH 6-8) -2.92 3.54 -64.54 2 8 -1 118 279.276 5 ↓

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Rings

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

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