UCSF

ZINC49348771

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) -1.38 3.12 -44.07 3 6 1 81 277.348 3
Hi High (pH 8-9.5) -1.38 1.51 -13.95 2 6 0 80 276.34 3

Activity (Go SEA)

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