UCSF

ZINC49237027

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) -0.64 2.76 -51.19 3 7 1 94 281.336 5
Hi High (pH 8-9.5) -0.64 0.53 -23.72 2 7 0 93 280.328 5

Activity (Go SEA)

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