UCSF

ZINC15450003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 12 No

CAS Numbers: 29745-04-8 , [29745-04-8]

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) 0.88 3.28 -7.57 0 4 0 53 168.148 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0156245A1; EP0183238A2; US4522949; US4536513; US4588743; US4661506 IBM Patent Data

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