UCSF

ZINC26511850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.96 6.11 -29.96 3 4 1 54 246.334 4
Mid Mid (pH 6-8) 2.96 6 -10.83 2 4 0 53 245.326 4

Activity (Go SEA)

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