UCSF

ZINC34336363

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) 2.91 10.04 -37.35 1 3 1 17 325.476 7
Mid Mid (pH 6-8) 2.91 7.71 -3.93 0 3 0 16 324.468 7
Lo Low (pH 4.5-6) 2.91 12.31 -97.75 2 3 2 18 326.484 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4889857 IBM Patent Data

Activity (Go SEA)

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