UCSF

ZINC00583182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 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) 4.09 2.06 -19.63 0 6 0 60 422.916 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999006406A1 IBM Patent Data

Activity (Go SEA)

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