UCSF

ZINC44472553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 16 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) 2.02 4.77 -29.29 2 3 1 29 229.388 9
Hi High (pH 8-9.5) 2.02 3.14 -1.97 1 3 0 24 228.38 9
Mid Mid (pH 6-8) 2.02 5.49 -26.79 2 3 1 26 229.388 9

Activity (Go SEA)

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