UCSF

ZINC34640491

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 Yes

CAS Number: 949588-40-3

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) 2.78 11.88 -33.78 1 4 0 54 339.435 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000007978A1 IBM Patent Data

Activity (Go SEA)

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