UCSF

ZINC06494374

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 21 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) 4.33 8.38 -6.93 0 3 0 28 286.371 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5194672; US5210278; US5247124 IBM Patent Data

Activity (Go SEA)

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