UCSF

ZINC38539569

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 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) 1.24 3.44 -45.03 3 2 1 31 227.278 2
Mid Mid (pH 6-8) 1.24 5.65 -115.95 4 2 2 32 228.286 2

Activity (Go SEA)

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