UCSF

ZINC26460505

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 33 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) 4.86 8.4 -60.24 2 7 1 88 494.703 9
Mid Mid (pH 6-8) 4.86 6.12 -16.21 1 7 0 87 493.695 9

Activity (Go SEA)

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