UCSF

ZINC34335856

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) 0.23 -1.37 -13.26 3 5 0 87 184.147 2
Hi High (pH 8-9.5) 0.23 -0.36 -49.36 2 5 -1 90 183.139 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0758013A1; EP0758013B1; US5855971 IBM Patent Data

Activity (Go SEA)

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