UCSF

ZINC39348711

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 15 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) 3.03 6.34 -6.32 0 2 0 22 213.158 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000031032A1 IBM Patent Data

Activity (Go SEA)

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