UCSF

ZINC57406608

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 23 Yes

CAS Numbers: 1695-77-8 , 21736-83-4

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) -2.73 -3.63 -49.23 6 9 1 134 333.361 2
Hi High (pH 8-9.5) -2.73 -4.88 -11.05 5 9 0 130 332.353 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4312884; US5968515 IBM Patent Data

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

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