UCSF

ZINC37863405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 14 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) 2.79 5.72 -3.39 1 1 0 12 223.366 5
Mid Mid (pH 6-8) 2.79 7.07 -42.47 2 1 1 17 224.374 5

Activity (Go SEA)

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