UCSF

ZINC01680728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 No

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) 1.79 2.8 -16.12 1 9 0 127 352.343 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0809624A1; US5731348 IBM Patent Data
PUBCHEM_PATENT_ID EP0809624A1; US5731348; WO1996025387A1 IBM Patent Data

Activity (Go SEA)

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