UCSF

ZINC52347098

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 28 Yes

Popular Name: (2S)-1-[(2R)-3-(1H-imidazol-4-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-3,3-dimethyl (2S)-1-[(2R)-3-(1H-imidazol-4-yl…

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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) -1.14 -0.98 -25.69 5 10 0 150 390.444 6 ↓
Mid Mid (pH 6-8) -1.14 -0.5 -52.08 6 10 1 152 391.452 6 ↓
Mid Mid (pH 6-8) -1.14 -0.48 -51.75 6 10 1 152 391.452 6 ↓

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