UCSF

ZINC32007004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Other Names:

MFCD11652994

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) 1.86 4.48 -42.55 2 2 1 26 178.255 1
Hi High (pH 8-9.5) 1.86 3.14 -3.59 1 2 0 21 177.247 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5773437 IBM Patent Data

Activity (Go SEA)

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