UCSF

ZINC21991245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 10 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) -0.93 1.53 -9.9 1 4 0 62 142.158 5
Mid Mid (pH 6-8) -0.93 2.93 -55.62 2 4 1 67 143.166 5

Activity (Go SEA)

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