UCSF

ZINC39292552

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 3.01 10.42 -18.82 2 7 0 98 510.666 8
Mid Mid (pH 6-8) 3.01 10.78 -67.38 3 7 1 100 511.674 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4024134 IBM Patent Data

Activity (Go SEA)

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