UCSF

ZINC26807021

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 28 Yes

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) 3.04 10.74 -57 2 5 1 54 376.48 6
Hi High (pH 8-9.5) 3.04 8.37 -24.58 1 5 0 53 375.472 6

Activity (Go SEA)

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