UCSF

ZINC32134045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 Yes

Other Names:

MFCD22001684

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) 2.28 3.64 -5.36 1 2 0 29 180.247 4

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0054132A1; US4379788 IBM Patent Data
PUBCHEM_PATENT_ID US4073770; US4190571; US4326061 IBM Patent Data

Activity (Go SEA)

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