UCSF

ZINC59159108

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 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) 5.27 10.16 -3.65 0 2 0 12 249.398 9
Mid Mid (pH 6-8) 5.27 10.27 -17.1 1 2 0 14 250.406 9

Activity (Go SEA)

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