UCSF

ZINC19831546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.57 2.74 -37.86 2 4 1 38 239.339 7
Mid Mid (pH 6-8) 1.57 3.91 -37.48 2 4 1 35 239.339 7

Activity (Go SEA)

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