UCSF

ZINC23700687

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 29 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) 2.35 7.38 -18.54 0 5 0 58 426.46 5
Mid Mid (pH 6-8) 2.35 9.66 -69.78 1 5 1 59 427.468 5

Activity (Go SEA)

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