UCSF

ZINC38243611

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 24 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) 4.61 9.94 -6.98 0 3 0 36 328.452 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0676196A1; US5654343 IBM Patent Data

Activity (Go SEA)

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