UCSF

ZINC79085461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2012 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.55 6.47 -6.15 0 2 0 34 168.236 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1985005551A1 IBM Patent Data

Activity (Go SEA)

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