UCSF

ZINC34016801

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 11 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) 1.22 2.14 -30.11 3 2 1 37 156.249 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0796248A1; US6143763; WO1997012869A1 IBM Patent Data

Activity (Go SEA)

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