UCSF

ZINC39280906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 20 No

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) 1.85 4.55 -54.8 2 6 -1 98 293.324 5
Mid Mid (pH 6-8) 1.85 4.98 -44.07 3 6 0 99 294.332 5

Activity (Go SEA)

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