UCSF

ZINC26547414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 22 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) 2.98 4.37 -44.08 0 4 -1 57 330.307 5
Mid Mid (pH 6-8) 2.98 3.94 -10.82 1 4 0 55 331.315 5

Activity (Go SEA)

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