UCSF

ZINC25081915

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 33 No

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) 3.25 14.37 -50.14 2 7 1 68 466.631 7
Mid Mid (pH 6-8) 3.98 14.21 -69.79 1 7 0 65 465.623 7

Activity (Go SEA)

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