UCSF

ZINC59211365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 28 No

Popular Name: (2S)-1-[(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoyl]-N-[(2S)-3,3-dimethyl-4-oxo-azetidine-2-carb (2S)-1-[(2R)-2-amino-3-(1-methyl…

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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) -2.44 3.47 -53.89 5 10 1 141 391.452 5 ↓
Hi High (pH 8-9.5) -2.44 2.87 -37.56 4 10 0 139 390.444 5 ↓
Mid Mid (pH 6-8) -2.44 3.28 -125.5 6 10 2 142 392.46 5 ↓
Mid Mid (pH 6-8) -2.44 3.04 -61.77 5 10 1 141 391.452 5 ↓

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

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