UCSF

ZINC28968614

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 2.35 8.27 -9.07 1 3 0 46 275.323 2
Mid Mid (pH 6-8) 2.35 7.55 -41.63 2 3 1 49 276.331 2

Activity (Go SEA)

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