UCSF

ZINC06529521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 18 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) -2.30 0.18 -47.61 1 5 -1 84 248.258 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3947445; US3951980 IBM Patent Data

Activity (Go SEA)

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