UCSF

ZINC27558889

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 47 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) 9.01 22.06 -198.89 8 6 4 85 657.085 34
Hi High (pH 8-9.5) 9.01 20.69 -140.76 7 6 3 80 656.077 34

Activity (Go SEA)

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