UCSF

ZINC00001043

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

CAS Number: 69304-47-8

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) -0.94 -8.03 -10.65 3 7 0 104 333.138 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122707A1; EP0253412A2; EP0454773A1; EP0550580A1; EP0550580B1; EP0655070A1; EP0655070B1; EP0726904A1; EP0728018A1; EP0985415A1; US4424211; US4526988; US4692434; US4808614; US4816570; US4880785; US4937233; US4990499; US5015743; US5064946; US5118820; US56 IBM Patent Data

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