UCSF

ZINC05838965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 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) 4.77 5.51 -4.89 2 2 0 40 306.49 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0747048A3; US5773005 IBM Patent Data

Activity (Go SEA)

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