UCSF

ZINC04228238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 32 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) -2.00 -10.32 -128.85 7 13 -2 217 443.42 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0432441A1; EP0432441B1; US5334535 IBM Patent Data

Activity (Go SEA)

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