UCSF

ZINC34547618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 No

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) 1.89 8.11 -47.01 2 9 1 97 459.519 9
Hi High (pH 8-9.5) 1.89 5.89 -7.38 1 9 0 96 458.511 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6150524 IBM Patent Data
PUBCHEM_PATENT_ID WO1997022606A1 IBM Patent Data

Activity (Go SEA)

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