UCSF

ZINC41167778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 12 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) -0.38 4.39 -10.79 0 3 0 51 163.224 5
Mid Mid (pH 6-8) -0.38 6.5 -59.01 1 3 1 52 164.232 5

Activity (Go SEA)

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