UCSF

ZINC39383137

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 27 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) 5.71 12.3 -43.41 2 3 1 35 364.509 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4018824; US4360464 IBM Patent Data

Activity (Go SEA)

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