UCSF

ZINC13917725

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 20 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) 2.04 2.42 -12.83 3 8 0 124 281.268 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912505A1; US6133319; WO1997049680A1 IBM Patent Data

Activity (Go SEA)

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