UCSF

ZINC59766003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 33 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) 0.35 -9.25 -20.02 8 12 0 211 464.379 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0633022A2; EP0633022B1; EP0659347A1; EP0742012A2; EP0960572A1; EP1011630A1; EP1018896A1; US4211772; US4255563; US4772334; US5525594; US5650433; US6153208; WO1999013861A1; WO1999055303A1; WO1999058000A1; WO2000028986A1 IBM Patent Data

Activity (Go SEA)

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