UCSF

ZINC34519575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 2.71 7.28 -5.8 0 3 0 30 233.311 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0623120A1; WO1993014077A1 IBM Patent Data

Activity (Go SEA)

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