UCSF

ZINC78579715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 19 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) 3.06 5.69 -7.03 2 3 0 49 263.381 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999021425A1 IBM Patent Data

Activity (Go SEA)

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

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