UCSF

ZINC39269932

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 8 Yes

Other Names:

MFCD18074198

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) -0.71 -2.42 -11.22 2 3 0 49 115.132 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP1043979A1; US4973708; US5032402; WO1999032094A1; WO2000009081A1; WO2000040230A2; WO2000045803A2; WO2000072690A2; WO2000072874A1 IBM Patent Data

Activity (Go SEA)

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