UCSF

ZINC13542492

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) -0.33 -4.44 -9.25 4 6 0 99 256.254 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0125299A1; US4444683; US4478746; US4478830; US4483792; US4489063; US4489064; US4536572 IBM Patent Data

Activity (Go SEA)

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