UCSF

ZINC62066452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 13 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) -0.26 -1.92 -7.87 1 5 0 53 207.299 3
Mid Mid (pH 6-8) -0.26 0.45 -46.6 2 5 1 54 208.307 3

Activity (Go SEA)

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