UCSF

ZINC20288994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.58 9.32 -30.47 3 9 1 106 473.557 7
Mid Mid (pH 6-8) -1.58 11.6 -83.45 4 9 2 107 474.565 7

Activity (Go SEA)

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