UCSF

ZINC01530355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 5 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) 1.05 2.53 -4.55 0 1 0 17 70.091 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5022182; US5317834; WO1989003811A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.