UCSF

ZINC42454535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.76 2.3 -18.54 1 5 0 80 208.265 7
Mid Mid (pH 6-8) -0.76 4.35 -62.2 2 5 1 81 209.273 7

Activity (Go SEA)

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