UCSF

ZINC42451741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 2.39 0.34 -3.07 0 5 0 62 212.297 5
Mid Mid (pH 6-8) 2.39 2.19 -37.25 1 5 1 63 213.305 5

Activity (Go SEA)

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