UCSF

ZINC39267665

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 Yes

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) 3.71 10.79 -18.47 4 8 0 105 432.528 8
Mid Mid (pH 6-8) 3.71 11.43 -31.77 5 8 1 107 433.536 8
Mid Mid (pH 6-8) 3.71 10.42 -31.15 5 8 1 107 433.536 8

Activity (Go SEA)

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