UCSF

ZINC54603291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 19 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) 1.15 1.98 -38.45 2 4 1 32 268.425 5
Mid Mid (pH 6-8) 1.15 4.18 -103.75 3 4 2 34 269.433 5
Mid Mid (pH 6-8) 1.15 4.26 -84.94 3 4 2 34 269.433 5
Lo Low (pH 4.5-6) 1.15 6.44 -194.38 4 4 3 35 270.441 5

Activity (Go SEA)

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