UCSF

ZINC14983651

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) -1.43 -0.53 -48.33 1 5 -1 86 197.195 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4248632; US4517254 IBM Patent Data

Activity (Go SEA)

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

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