UCSF

ZINC01707323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Other Names:

MFCD09948905

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) 1.50 5.67 -50.33 0 3 -1 49 179.195 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0013564A1; EP0025554A2; EP0029972A2; EP0098743A1; EP0412378A1; EP0412378B1; EP0816316A1; EP0948490A1; US4168145; US4304569; US4314052; US4323562; US4373059; US4431639; US4518789; US5118833; US5677463; WO1998022450A1 IBM Patent Data

Activity (Go SEA)

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