UCSF

ZINC37052233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -0.52 3.19 -14.85 3 5 0 75 261.325 4
Mid Mid (pH 6-8) -0.52 3.5 -44.94 4 5 1 77 262.333 4

Activity (Go SEA)

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