UCSF

ZINC20082568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 35 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) 2.03 4.39 -62.45 1 9 -1 112 481.525 9
Mid Mid (pH 6-8) 2.03 6.73 -79.69 2 9 0 113 482.533 9

Activity (Go SEA)

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