UCSF

ZINC41051123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) 3.75 6.42 -2.65 1 1 0 12 199.244 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5955548; WO1998050344A1 IBM Patent Data

Activity (Go SEA)

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