UCSF

ZINC00895350

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 12 No

CAS Numbers: 4205-23-6 , 59-23-4 , [4205-23-6] , [59-23-4]

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) -2.64 -12.2 -8.94 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014050A2; EP0032252A1; EP0034858A2; EP0066908A1; EP0076118A1; EP0091223A1; EP0098642A2; EP0100382A1; EP0100499A2; EP0112332B1; EP0112632A2; EP0132043A1; EP0132043B2; EP0136844A2; EP0139486A2; EP0139859A2; EP0143385A2; EP0152856A2; EP0153501A2; EP015350 IBM Patent Data

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