UCSF

ZINC78166866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2012 18 Yes

CAS Numbers: [62234-40-6] , [70882-66-5]

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) -2.44 2.67 -42.28 5 6 0 120 252.27 7
Hi High (pH 8-9.5) -2.44 3.28 -46.84 4 6 -1 118 251.262 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4555502 IBM Patent Data

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

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