UCSF

ZINC59852537

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 38 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) 6.00 8.08 -53.6 2 8 -1 124 589.502 8
Mid Mid (pH 6-8) 6.00 8.04 -23.46 3 8 0 121 590.51 8
Mid Mid (pH 6-8) 6.00 8.14 -96.39 1 8 -2 126 588.494 8

Activity (Go SEA)

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