UCSF

ZINC32111148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

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) 2.82 5.69 -41.34 3 3 1 46 260.357 7
Hi High (pH 8-9.5) 2.82 4.19 -6.76 2 3 0 41 259.349 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0400519A1 IBM Patent Data
PUBCHEM_PATENT_ID US6121328 IBM Patent Data

Activity (Go SEA)

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