UCSF

ZINC17953425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 31 No

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) 2.78 11.41 -15.66 1 5 0 66 428.875 2
Hi High (pH 8-9.5) 3.86 9.75 -57.47 0 5 -1 73 427.867 2

Activity (Go SEA)

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