UCSF

ZINC04342821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 17 Yes

CAS Numbers: 39455-15-7 , 54-25-1

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) -2.30 -9.84 -16 4 9 0 137 245.191 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0110955A1; EP0110955B1; EP0221588A2; EP0222425A2; EP0224283A2; EP0262696A2; EP0341745B1; EP0539493A1; EP0539493B1; EP0594667A1; EP0763047A2; EP0910634A2; EP0954610A1; EP0978561A1; EP0988060A2; US3983114; US5672501; US5672511; US5767263; US5780617; US587 IBM Patent Data

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