UCSF

ZINC59090378

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 14 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) 3.34 7.96 -50.03 2 2 1 40 197.346 9
Hi High (pH 8-9.5) 3.34 6.78 -5.41 1 2 0 36 196.338 9

Activity (Go SEA)

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