UCSF

ZINC52111346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 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) -0.58 -2.67 -19.58 1 7 0 87 313.445 7
Mid Mid (pH 6-8) -0.58 -0.45 -63.75 2 7 1 88 314.453 7

Activity (Go SEA)

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