UCSF

ZINC59574524

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 34 Yes

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) 4.54 13.81 -19.08 0 6 0 78 465.521 6
Mid Mid (pH 6-8) 4.70 12.22 -12.18 0 6 0 78 465.521 6

Activity (Go SEA)

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