UCSF

ZINC49588563

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 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) 1.51 5.71 -9.61 0 5 0 72 193.158 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0982305A1; US6153625; WO2000007997A1 IBM Patent Data

Activity (Go SEA)

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