UCSF

ZINC54358186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.43 9.53 -40.41 2 4 1 43 347.866 9
Mid Mid (pH 6-8) 3.43 7.33 -7.56 1 4 0 42 346.858 9

Activity (Go SEA)

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