UCSF

ZINC79098429

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2012 27 No

Popular Name: (4S,7S,10aR)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[ (4S,7S,10aR)-5-oxo-4-[[(2S)-3-ph…

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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) 0.18 10.18 -59.3 1 6 -1 90 407.537 5 ↓
Mid Mid (pH 6-8) 0.18 10.71 -110.21 1 6 -2 90 406.529 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1051419A1; WO1999035145A1 IBM Patent Data

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