UCSF

ZINC34426536

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 33 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) 5.57 12.68 -59.37 0 8 -1 105 499.367 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5234821; US5336774 IBM Patent Data

Activity (Go SEA)

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