UCSF

ZINC13910790

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 19 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) 3.79 6.25 -39.19 2 2 1 25 299.221 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5998405 IBM Patent Data
PUBCHEM_PATENT_ID US5998405; US6150376; WO1997016451A1 IBM Patent Data

Activity (Go SEA)

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