UCSF

ZINC43273961

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 39 No

Popular Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propyl]amino]acetyl]amino]acetyl]amino]-3- (2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2…

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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) 0.12 0.64 -148.78 11 11 2 195 560.721 17 ↓
Hi High (pH 8-9.5) 0.12 -1.11 -20.11 9 11 0 189 558.705 17 ↓
Mid Mid (pH 6-8) 0.12 0.24 -55.88 10 11 1 193 559.713 17 ↓
Mid Mid (pH 6-8) 0.12 -0.73 -58.69 10 11 1 190 559.713 17 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4198398; US4304715; USRE30731 IBM Patent Data

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