UCSF

ZINC60023551

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 No

Popular Name: (6S,7S)-7-[[(2R)-2-(4-carbamothioyloxyphenyl)-3-hydroxy-3-oxo-propanoyl]amino]-7-methoxy-8-oxo-3-(2H (6S,7S)-7-[[(2R)-2-(4-carbamothi…

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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) 0.21 2.15 -123.59 4 14 -2 216 578.61 11 ↓
Hi High (pH 8-9.5) 0.21 2.15 -190.31 3 14 -3 214 577.602 11 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4203982 IBM Patent Data

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

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