UCSF

ZINC43426783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.94 -0.32 -4.01 1 3 0 33 185.267 2
Mid Mid (pH 6-8) 0.94 1.95 -31.41 2 3 1 34 186.275 2

Activity (Go SEA)

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