UCSF

ZINC34361749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 22 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) 6.21 10.54 -5.54 0 2 0 22 302.458 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0306919A2; EP0306919B1; US4909957; US5308540; US5324450 IBM Patent Data

Activity (Go SEA)

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