UCSF

ZINC35822789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 15 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) 2.30 8.15 -8.81 0 4 0 53 214.261 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0300797A1; EP0300797B1; US5116862; US5466710 IBM Patent Data

Activity (Go SEA)

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