UCSF

ZINC36428771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 19 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) -1.05 -2.32 -13.52 3 8 0 114 266.257 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4387161; US5902740 IBM Patent Data

Activity (Go SEA)

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