UCSF

ZINC51226450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) -0.38 -0.77 -10.16 1 5 0 51 211.265 4
Mid Mid (pH 6-8) -0.38 1.5 -42.69 2 5 1 52 212.273 4

Activity (Go SEA)

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