UCSF

ZINC26161081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 44 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) 8.22 19.72 -202.74 8 6 4 85 615.004 31
Hi High (pH 8-9.5) 8.22 18.34 -143.25 7 6 3 80 613.996 31

Activity (Go SEA)

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