UCSF

ZINC39282422

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 2.23 5.68 -8.76 0 4 0 55 181.191 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4101582; US4124639; US4165231; US4251264; US4297127; US4395577 IBM Patent Data

Activity (Go SEA)

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