UCSF

ZINC04062835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 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) 3.00 6.72 -7.14 1 2 0 37 274.404 0
Ref Reference (pH 7) 3.00 6.91 -8.24 1 2 0 37 274.404 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4250611 IBM Patent Data

Activity (Go SEA)

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