UCSF

ZINC16546003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 18 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) -2.17 -7.25 -24.12 6 9 0 143 258.234 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0948256A1; WO1995010629A1; WO1998018324A1 IBM Patent Data

Activity (Go SEA)

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