UCSF

ZINC59706421

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 20 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) -0.44 -0.14 -65.36 6 7 1 126 280.304 7
Mid Mid (pH 6-8) -0.44 -0.44 -19.33 5 7 0 125 279.296 7

Activity (Go SEA)

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