UCSF

ZINC00834707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 2.76 -0.32 -37.11 2 6 1 60 357.478 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5280028; US5521193; US5534521 IBM Patent Data

Activity (Go SEA)

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