UCSF

ZINC54364766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 17 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) 1.46 4.99 -33.9 1 4 1 32 246.371 9
Mid Mid (pH 6-8) 1.46 2.78 -5.67 0 4 0 31 245.363 9

Activity (Go SEA)

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