UCSF

ZINC67833964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 28 Yes

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) 3.77 11.38 -12.13 1 5 0 58 376.504 4
Mid Mid (pH 6-8) 3.77 11.71 -29.34 2 5 1 59 377.512 4

Activity (Go SEA)

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