UCSF

ZINC38403947

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2010 34 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) 5.55 14.66 -40.61 2 4 1 39 459.585 7
Hi High (pH 8-9.5) 5.55 12.46 -9.44 1 4 0 38 458.577 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5998402; US6127404 IBM Patent Data

Activity (Go SEA)

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