UCSF

ZINC55042021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 3.40 11.63 -88.62 3 4 2 38 347.547 11
Hi High (pH 8-9.5) 3.40 9.48 -42.35 2 4 1 37 346.539 11

Activity (Go SEA)

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