UCSF

ZINC52280476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 25 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) 0.40 4.74 -41.37 2 7 1 70 346.455 6
Mid Mid (pH 6-8) 0.40 2.48 -11.36 1 7 0 69 345.447 6
Mid Mid (pH 6-8) 0.40 4.74 -38.15 2 7 1 70 346.455 6
Lo Low (pH 4.5-6) 0.40 5.46 -89.95 3 7 2 71 347.463 6

Activity (Go SEA)

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