UCSF

ZINC34373284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 25 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) 4.76 13.37 -39.64 2 2 1 20 355.571 5
Hi High (pH 8-9.5) 4.76 11.6 -4.54 1 2 0 19 354.563 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0420953A1; US5219862 IBM Patent Data

Activity (Go SEA)

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