UCSF

ZINC40161790

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 18 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) 3.23 5.68 -5.56 0 3 0 22 269.772 4
Mid Mid (pH 6-8) 3.23 7.66 -36.57 1 3 1 23 270.78 4

Activity (Go SEA)

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