UCSF

ZINC20549355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 0.69 -0.8 -11.41 3 4 0 72 220.681 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0372315A1; EP0372315B1; US5041540; US5149789; US5245020 IBM Patent Data

Activity (Go SEA)

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