UCSF

ZINC34355101

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 16 Yes

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) 2.35 4.22 -7.15 1 4 0 56 224.256 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0301587A1; EP0301587B1; US5114615 IBM Patent Data

Activity (Go SEA)

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