UCSF

ZINC29559913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 35 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) 6.09 18.22 -53.7 2 5 1 44 473.616 9
Hi High (pH 8-9.5) 6.09 15.97 -12.76 1 5 0 42 472.608 9

Activity (Go SEA)

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