UCSF

ZINC75545415

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 12 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) 3.28 6.91 -6.48 0 1 0 17 162.232 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0279681A2; EP0454330A1; EP0987253A1; EP1021199A1; EP1035125A2; US5162318; US5968967; US6020366; US6150378; WO1998006711A1; WO1999017790A1 IBM Patent Data

Activity (Go SEA)

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

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