UCSF

ZINC34361265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 30 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) 2.10 9.23 -21.63 0 9 0 108 435.454 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4637999; US5132301; US5364848 IBM Patent Data

Activity (Go SEA)

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