UCSF

ZINC39933050

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 20 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) 1.30 2.83 -51.2 0 6 -1 78 310.38 2
Mid Mid (pH 6-8) 0.85 4.67 -16.03 1 6 0 75 311.388 2

Activity (Go SEA)

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