UCSF

ZINC25385328

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 30 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) 3.32 3.94 -15.27 2 7 0 88 453.63 11
Mid Mid (pH 6-8) 3.32 6.19 -62.41 3 7 1 89 454.638 11

Activity (Go SEA)

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