UCSF

ZINC69238325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 1.01 5.1 -90.61 5 5 2 82 249.362 5
Hi High (pH 8-9.5) 1.01 4.98 -40.41 4 5 1 81 248.354 5

Activity (Go SEA)

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