UCSF

ZINC34320919

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 8 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) -0.60 -0.03 -103.98 6 2 2 55 118.224 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0168751A1; US4785098 IBM Patent Data

Activity (Go SEA)

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