UCSF

ZINC37688764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 10 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) -0.29 -1.91 -35.46 4 3 1 57 148.226 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4476045 IBM Patent Data

Activity (Go SEA)

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