UCSF

ZINC34638841

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 15 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) 1.43 2.66 -37.32 3 3 1 45 210.297 5
Hi High (pH 8-9.5) 1.43 0.2 -5.1 2 3 0 44 209.289 5

Activity (Go SEA)

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