UCSF

ZINC03465626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 34 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) 4.37 -2.31 -17.67 2 8 0 110 482.558 10
Hi High (pH 8-9.5) 4.37 -1.73 -54.01 1 8 -1 112 481.55 10

Activity (Go SEA)

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