UCSF

ZINC42518132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.19 0.79 -36.32 3 3 1 40 175.296 5
Mid Mid (pH 6-8) 0.19 1.73 -26.96 3 3 1 40 175.296 5

Activity (Go SEA)

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