UCSF

ZINC26515454

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 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) 2.36 2.58 -5.6 1 2 0 36 152.241 1
Mid Mid (pH 6-8) 2.36 3.92 -47.76 2 2 1 40 153.249 1

Activity (Go SEA)

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