UCSF

ZINC60210696

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 10.92 -13.94 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 10.18 -11.8 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 4.08 10.53 -61.69 0 6 -1 88 442.538 6
Mid Mid (pH 6-8) 3.66 9.37 -9.49 0 6 0 82 443.546 6

Activity (Go SEA)

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