UCSF

ZINC27710201

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 32 No

Popular Name: 2-[[4-[(2R)-2-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-3-(pentylamino)propyl]phenyl]methyl]propanedio 2-[[4-[(2R)-2-[(4-hydroxy-4-oxo-…

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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) 1.09 11.16 -211.52 2 10 -3 179 447.464 15 ↓
Mid Mid (pH 6-8) 1.09 7.21 -119.61 3 10 -2 176 448.472 15 ↓
Lo Low (pH 4.5-6) 1.09 6.09 -63.57 4 10 -1 173 449.48 15 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999011606A2 IBM Patent Data

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