UCSF

ZINC34829697

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 4.54 15.48 -50.1 1 6 1 54 530.714 6
Mid Mid (pH 6-8) 4.54 13.77 -15.74 0 6 0 53 529.706 6

Activity (Go SEA)

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