UCSF

ZINC42988922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 37 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) 2.30 5.8 -24.6 3 8 0 104 534.629 10
Mid Mid (pH 6-8) 2.30 7.14 -69.71 4 8 1 108 535.637 10

Activity (Go SEA)

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