UCSF

ZINC43254090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.67 3.03 -44.53 3 4 1 49 335.921 10
Mid Mid (pH 6-8) 2.67 5.69 -30.18 3 4 1 49 335.921 10
Mid Mid (pH 6-8) 2.67 5.96 -103.37 4 4 2 51 336.929 10

Activity (Go SEA)

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