UCSF

ZINC42408686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 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) -0.34 -0.25 -44.93 3 4 1 49 205.322 10
Hi High (pH 8-9.5) -0.34 1.55 -33.7 3 4 1 49 205.322 10

Activity (Go SEA)

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