UCSF

ZINC34375339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 30 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) 1.44 12.09 -54.1 0 10 -1 142 413.362 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0182213A1; US4962103 IBM Patent Data

Activity (Go SEA)

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