UCSF

ZINC53144594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.55 3.61 -10.59 1 4 0 44 276.38 4
Mid Mid (pH 6-8) 1.55 5.9 -44.91 2 4 1 45 277.388 4

Activity (Go SEA)

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