UCSF

ZINC60007769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 5.97 9.86 -2.44 0 1 0 9 234.383 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6084059 IBM Patent Data

Activity (Go SEA)

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