UCSF

ZINC34851545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 5.67 12.45 -26.72 1 8 0 94 529.062 10
Hi High (pH 8-9.5) 5.86 11.22 -61.14 0 8 -1 100 528.054 10

Activity (Go SEA)

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