UCSF

ZINC33106252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 35 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) 4.89 12.89 -52.24 2 6 1 67 471.625 5
Mid Mid (pH 6-8) 4.89 10.69 -15.59 1 6 0 66 470.617 5

Activity (Go SEA)

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