UCSF

ZINC34435747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 27 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) 3.92 10.34 -7.29 1 10 0 147 381.385 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0532664A1; EP0532664B1; US5080795 IBM Patent Data

Activity (Go SEA)

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