UCSF

ZINC34590073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 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) 2.85 3.23 -4.09 3 2 0 38 180.226 0
Lo Low (pH 4.5-6) 2.85 3.68 -36.13 4 2 1 43 181.234 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4416884 IBM Patent Data

Activity (Go SEA)

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