UCSF

ZINC33820100

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 25 No

Popular Name: (2S)-4-[(E)-2-[5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-1H-imidazol-3-ium-3-yl]vinyl]-2,3-dihydropyri (2S)-4-[(E)-2-[5-[(2S)-2-amino-3…

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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) -5.75 7.41 -119.38 5 10 0 182 348.315 7 ↓
Hi High (pH 8-9.5) -4.79 6.71 -105.75 3 10 -2 178 346.299 7 ↓
Mid Mid (pH 6-8) -4.79 7.01 -85.75 4 10 -1 180 347.307 7 ↓

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

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