UCSF

ZINC49302400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 3.00 6.25 -44.41 2 4 1 55 340.241 5
Hi High (pH 8-9.5) 3.00 7.75 -22.02 1 4 0 57 339.233 5

Activity (Go SEA)

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