UCSF

ZINC02577510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 10 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) 2.15 -2.39 -4.29 0 1 0 12 151.234 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999006436A1 IBM Patent Data

Activity (Go SEA)

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

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