UCSF

ZINC54993876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 3.29 11.17 -48.59 1 3 1 25 347.529 3
Mid Mid (pH 6-8) 3.29 9.07 -11.76 0 3 0 24 346.521 3

Activity (Go SEA)

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