UCSF

ZINC26512572

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 17 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) 3.56 4.03 -7.84 2 3 0 52 262.618 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4797492 IBM Patent Data

Activity (Go SEA)

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