UCSF

ZINC34463098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 4.34 7.57 -3.24 0 1 0 9 178.275 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000059905A1 IBM Patent Data

Activity (Go SEA)

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