UCSF

ZINC54918290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 1.65 5.2 -7.22 3 3 0 55 272.323 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0720601A1; EP0720601B1; US5795907; US5919829 IBM Patent Data

Activity (Go SEA)

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