UCSF

ZINC03795368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 29 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) 2.23 -3.51 -12.83 3 7 0 107 391.427 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5061800 IBM Patent Data
PUBCHEM_PATENT_ID US5496830; US5614529; WO1996009049A1 IBM Patent Data

Activity (Go SEA)

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