UCSF

ZINC26099170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 22 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) 1.89 3.76 -12.77 1 6 0 63 320.418 5
Mid Mid (pH 6-8) 1.89 6.04 -46.32 2 6 1 65 321.426 5

Activity (Go SEA)

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