UCSF

ZINC34453428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 7.42 17.32 -13.65 0 6 0 63 514.666 11
Lo Low (pH 4.5-6) 7.42 17.59 -34.75 1 6 1 64 515.674 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5541229 IBM Patent Data

Activity (Go SEA)

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