UCSF

ZINC16952030

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 17 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) -1.81 -4.21 -11.2 3 7 0 105 262.649 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0586523A1; US5213972; US5728684; WO1992020816A1 IBM Patent Data

Activity (Go SEA)

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