UCSF

ZINC05841900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 13 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) 4.22 5.64 -3.08 1 1 0 20 178.275 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994017036A1 IBM Patent Data

Activity (Go SEA)

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