UCSF

ZINC39346227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 15 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) 0.57 -0.27 -9.9 1 4 0 64 226.301 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005889A1; US4272439; US4283531 IBM Patent Data

Activity (Go SEA)

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