UCSF

ZINC55042253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 4.01 12.05 -37.61 2 5 1 45 360.57 5
Mid Mid (pH 6-8) 4.01 10.62 -41.73 2 5 1 49 360.57 5

Activity (Go SEA)

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