UCSF

ZINC39387306

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 17 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) 2.97 9 -40.76 1 2 1 8 235.326 3
Mid Mid (pH 6-8) 2.97 6.79 -3.22 0 2 0 6 234.318 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4518712 IBM Patent Data

Activity (Go SEA)

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