UCSF

ZINC42465768

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) 0.18 3.01 -37.38 2 4 1 46 231.341 3
Mid Mid (pH 6-8) 0.18 1.77 -6.77 1 4 0 42 230.333 3

Activity (Go SEA)

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