UCSF

ZINC61675043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 18 Yes

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) 1.88 4.58 -38.41 2 4 1 35 249.334 2
Lo Low (pH 4.5-6) 1.88 5.77 -118.03 3 4 2 40 250.342 2
Lo Low (pH 4.5-6) 1.88 3.67 -37.81 2 4 1 38 249.334 2

Activity (Go SEA)

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