UCSF

ZINC05298667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 16 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) 1.83 3.56 -11.26 2 4 0 58 228.336 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1047693A1; US4968687; WO1999031091A1 IBM Patent Data

Activity (Go SEA)

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