UCSF

ZINC00564570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 1.89 0.92 -64.44 1 5 1 42 345.492 4
Mid Mid (pH 6-8) 1.89 1.2 -118.54 2 5 2 43 346.5 4

Activity (Go SEA)

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