UCSF

ZINC06583640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.61 6.31 -200.78 8 6 3 102 410.586 12
Mid Mid (pH 6-8) 1.61 4.2 -108.39 7 6 2 101 409.578 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997027179A2 IBM Patent Data

Activity (Go SEA)

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