UCSF

ZINC25064824

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 1.45 2.14 -16.27 3 9 0 117 385.424 7
Mid Mid (pH 6-8) 1.45 2.44 -45.02 4 9 1 118 386.432 7

Activity (Go SEA)

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