UCSF

ZINC39244081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 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) 3.06 9.42 -43.42 0 2 -1 40 257.334 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4066686; US4098824; US4127722 IBM Patent Data

Activity (Go SEA)

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