UCSF

ZINC47795002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 22 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) 3.66 10.22 -44.85 2 3 1 37 380.331 6
Mid Mid (pH 6-8) 3.66 8.58 -10.52 1 3 0 32 379.323 6

Activity (Go SEA)

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