UCSF

ZINC34346375

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) -2.98 -3.09 -91.97 2 10 -2 189 398.326 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0403664A1; EP0733473B1; US3983145; US5188774; US5879813 IBM Patent Data

Activity (Go SEA)

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