UCSF

ZINC39297892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 5.94 16.36 -33.8 1 2 1 19 424.442 8
Mid Mid (pH 6-8) 5.94 15.85 -6.81 0 2 0 18 423.434 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4315023 IBM Patent Data

Activity (Go SEA)

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