UCSF

ZINC25463954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 3.90 7.52 -19.6 1 6 0 73 411.936 5
Hi High (pH 8-9.5) 3.90 7.58 -54.32 0 6 -1 75 410.928 5

Activity (Go SEA)

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