UCSF

ZINC36387787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 34 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) -0.73 1.15 -57.89 6 12 1 163 472.526 8
Mid Mid (pH 6-8) -0.73 0.83 -15.87 5 12 0 161 471.518 8

Activity (Go SEA)

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