UCSF

ZINC25455310

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 2.31 8 -31.46 1 7 0 94 448.595 5
Hi High (pH 8-9.5) 2.37 7.09 -57.75 0 7 -1 100 447.587 5

Activity (Go SEA)

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