UCSF

ZINC02545105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 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) -0.42 -8.27 -13.65 4 9 0 145 301.251 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5726058; US6017727; WO1993007294A1 IBM Patent Data

Activity (Go SEA)

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