UCSF

ZINC06782325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 3.15 8.15 -60.49 1 6 -1 90 408.474 9
Mid Mid (pH 6-8) 3.59 -2.84 -31.91 2 6 0 87 409.482 8
Mid Mid (pH 6-8) 2.56 -2.61 -23.52 1 6 0 83 409.482 9

Activity (Go SEA)

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