UCSF

ZINC06696913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 28 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) 3.59 12.02 -19.72 0 4 0 38 403.86 6
Mid Mid (pH 6-8) 3.59 12.48 -27.41 1 4 1 39 404.868 6

Activity (Go SEA)

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