UCSF

ZINC17023633

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 No

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) 4.56 12.73 -6.17 0 3 0 36 334.481 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0395258A1; EP0395258B1 IBM Patent Data

Activity (Go SEA)

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