UCSF

ZINC59908621

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.90 12.96 -210.51 9 8 3 147 529.831 26
Mid Mid (pH 6-8) 4.90 12.68 -133.61 8 8 2 145 528.823 26

Activity (Go SEA)

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