UCSF

ZINC55064010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 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) 1.94 6.77 -101.63 4 3 2 35 281.419 5
Mid Mid (pH 6-8) 1.94 4.86 -40.55 3 3 1 34 280.411 5

Activity (Go SEA)

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