UCSF

ZINC60023116

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 Yes

Popular Name: (2S)-2-(3-chloro-4-hydroxy-phenyl)-2-[(3S)-3-methoxy-2-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-1- (2S)-2-(3-chloro-4-hydroxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

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) 1.58 3.41 -56.44 2 8 -1 119 423.854 7 ↓
Hi High (pH 8-9.5) 1.58 4.18 -115.64 1 8 -2 122 422.846 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4144232; US4203896 IBM Patent Data

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Rings

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

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