UCSF

ZINC32149864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 8 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) 2.67 6.1 -2.09 0 0 0 0 130.256 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0853108A1; US3965244; US3998848; US4021490; US4710320; US5851274 IBM Patent Data
PUBCHEM_PATENT_ID US5502060 IBM Patent Data

Activity (Go SEA)

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