UCSF

ZINC38233656

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 36 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) 3.84 6.86 -18.77 6 11 0 175 517.608 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0960882A1; WO1999059992A1 IBM Patent Data

Activity (Go SEA)

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