UCSF

ZINC43524275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 43 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) 6.25 7.91 -21.65 3 10 0 149 580.545 6
Hi High (pH 8-9.5) 6.25 8.9 -65.15 2 10 -1 152 579.537 6
Hi High (pH 8-9.5) 6.25 8.91 -68.39 2 10 -1 152 579.537 6

Activity (Go SEA)

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