UCSF

ZINC03882041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 31 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) 2.56 4.87 -20.24 2 6 0 93 434.504 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0904266A1; WO1997034871A1 IBM Patent Data

Activity (Go SEA)

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