UCSF

ZINC34336834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 24 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) 1.73 6.16 -47.69 2 7 -1 102 324.364 5
Lo Low (pH 4.5-6) 1.73 6.62 -51.33 3 7 0 103 325.372 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4918075 IBM Patent Data

Activity (Go SEA)

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