UCSF

ZINC75824147

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2012 13 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) 0.24 1.22 -44.02 4 4 1 69 187.263 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0871628A1; US5599816; US5726182; WO1996039407A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.