UCSF

ZINC27992060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 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) -1.35 3.04 -56.35 0 6 -1 79 276.334 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4296113; US4311697; US4330548 IBM Patent Data

Activity (Go SEA)

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