UCSF

ZINC60210694

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 3.50 11.73 -13.73 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 10.4 -10.77 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.66 11.64 -10.97 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 4.08 11.07 -62.91 0 6 -1 88 442.538 6

Activity (Go SEA)

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