UCSF

ZINC38287826

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 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) 5.23 9.21 -8.89 1 4 0 55 351.324 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0863753A1; US6043278 IBM Patent Data

Activity (Go SEA)

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