UCSF

ZINC39281616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 38 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) 7.62 19.3 -41.44 1 4 1 14 505.73 12
Hi High (pH 8-9.5) 7.62 17.04 -6.17 0 4 0 13 504.722 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4292321; US4364954; US4411904 IBM Patent Data

Activity (Go SEA)

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