UCSF

ZINC33972431

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 34 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) 7.41 9.64 -7.26 3 3 0 61 468.722 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0410554A3; US5145847 IBM Patent Data

Activity (Go SEA)

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