UCSF

ZINC05925524

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 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) 5.99 14.81 -14.44 0 4 0 45 382.396 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4139487 IBM Patent Data

Activity (Go SEA)

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