UCSF

ZINC37092805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.45 4.58 -47.66 3 3 1 48 225.356 2
Mid Mid (pH 6-8) 2.45 4.29 -6.25 2 3 0 46 224.348 2

Activity (Go SEA)

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