UCSF

ZINC13213570

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 18 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) 3.67 7.27 -10.12 0 2 0 26 230.27 0
Lo Low (pH 4.5-6) 3.67 7.55 -38.82 1 2 1 27 231.278 0
Lo Low (pH 4.5-6) 3.67 7.84 -78.8 2 2 2 28 232.286 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4757124; US4758639; US6096144 IBM Patent Data

Activity (Go SEA)

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