UCSF

ZINC33693105

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 No

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) -3.45 5.49 -29.73 3 9 1 108 411.486 4
Mid Mid (pH 6-8) -3.45 7.74 -82.81 4 9 2 109 412.494 4

Activity (Go SEA)

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