UCSF

ZINC34610980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 1.03 8.14 -18.47 1 5 0 54 280.331 2
Mid Mid (pH 6-8) 1.03 8.65 -43.9 2 5 1 55 281.339 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5360800 IBM Patent Data

Activity (Go SEA)

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