UCSF

ZINC04312768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 13 Yes

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) 3.04 -2.63 -43 3 2 1 28 197.689 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0111864A1; US4560684 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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