UCSF

ZINC25525507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 0.61 -1.64 -25.32 4 8 0 135 381.435 5
Hi High (pH 8-9.5) 0.61 -1.57 -54.85 3 8 -1 138 380.427 5
Hi High (pH 8-9.5) 0.61 -0.96 -49.92 3 8 -1 133 380.427 5

Activity (Go SEA)

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