UCSF

ZINC29464604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 20 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) -0.84 2.2 -54.27 3 6 1 69 283.396 5
Mid Mid (pH 6-8) -0.84 3.57 -103.35 4 6 2 74 284.404 5
Mid Mid (pH 6-8) -0.84 0.81 -12.44 2 6 0 65 282.388 5

Activity (Go SEA)

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