UCSF

ZINC53767372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 4.27 9.05 -8.93 0 2 0 26 234.339 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4725602 IBM Patent Data

Activity (Go SEA)

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