UCSF

ZINC42011950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 10 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) 2.09 4.52 -1.75 0 1 0 3 139.242 4
Mid Mid (pH 6-8) 2.09 6.4 -28.47 1 1 1 4 140.25 4

Activity (Go SEA)

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