UCSF

ZINC39644707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 24 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) -0.95 5.96 -81.72 4 7 0 117 341.452 8
Hi High (pH 8-9.5) -0.95 5.64 -63.98 3 7 -1 116 340.444 8

Activity (Go SEA)

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