UCSF

ZINC13729436

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 16 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) 0.75 5.91 -57.09 0 4 -1 60 218.232 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0375451A2 IBM Patent Data

Activity (Go SEA)

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