UCSF

ZINC49002189

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 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) -0.63 4.47 -48.31 3 6 1 81 277.348 4
Hi High (pH 8-9.5) -0.63 2.67 -14.61 2 6 0 80 276.34 4

Activity (Go SEA)

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