UCSF

ZINC16024421

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2008 18 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) 2.99 5.78 -7.24 1 3 0 42 281.142 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1028945A1; US6022884; WO1999024404A1 IBM Patent Data

Activity (Go SEA)

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