UCSF

ZINC04945491

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 21 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) -0.33 2.37 -33.09 3 7 -1 132 280.267 1
Mid Mid (pH 6-8) 0.75 -3.86 -16.74 4 7 0 124 281.275 1

Activity (Go SEA)

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