UCSF

ZINC57411780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 17 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) 2.60 4.85 -15.63 3 4 0 53 236.339 6
Mid Mid (pH 6-8) 2.60 5.33 -5.22 2 4 0 51 235.331 6

Activity (Go SEA)

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