UCSF

ZINC33358895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 15 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) -1.38 -6.93 -13.22 4 6 0 99 220.221 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0406837B1; US4640940; US5227481; US5349089; US5587442; WO1996020236A1 IBM Patent Data

Activity (Go SEA)

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