UCSF

ZINC39267523

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 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) 4.19 10.42 -16.08 4 8 0 105 424.549 7
Mid Mid (pH 6-8) 4.19 11.06 -29.4 5 8 1 107 425.557 7
Mid Mid (pH 6-8) 4.19 10.07 -30.69 5 8 1 107 425.557 7

Activity (Go SEA)

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