UCSF

ZINC34528140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 4.71 13.85 -43.38 1 7 1 83 482.56 10
Hi High (pH 8-9.5) 4.71 11.8 -15.96 0 7 0 81 481.552 10

Activity (Go SEA)

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