UCSF

ZINC34329944

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) 2.77 5.97 -6.35 0 2 0 22 206.285 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6139924; WO2000031003A1; WO2000031210A1 IBM Patent Data

Activity (Go SEA)

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