UCSF

ZINC37673884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) -1.24 -0.33 -46.73 5 7 1 109 228.276 5
Mid Mid (pH 6-8) -0.78 -1.98 -61.65 4 7 0 113 227.268 5

Activity (Go SEA)

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