UCSF

ZINC60238919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 39 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) -1.86 9.99 -105.89 0 8 -1 123 607.821 11
Mid Mid (pH 6-8) -1.86 9.57 -79.9 0 8 -1 123 607.821 11
Mid Mid (pH 6-8) -1.86 9.78 -88.39 0 8 -1 123 607.821 11

Activity (Go SEA)

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