UCSF

ZINC24193119

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 30 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) -2.61 6.1 -29.87 3 9 1 106 411.486 5
Mid Mid (pH 6-8) -2.61 8.45 -82.57 4 9 2 107 412.494 5

Activity (Go SEA)

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