UCSF

ZINC42353484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

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) 1.34 5.1 -43.74 2 3 1 34 273.466 5
Lo Low (pH 4.5-6) 1.34 6.12 -123.94 3 3 2 38 274.474 5
Lo Low (pH 4.5-6) 1.34 3.89 -54.87 2 3 1 37 273.466 5

Activity (Go SEA)

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