UCSF

ZINC06969742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 24 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) 2.75 8.33 -12.54 1 7 0 101 340.364 4
Hi High (pH 8-9.5) 2.81 6.69 -39 0 7 -1 107 339.356 4

Activity (Go SEA)

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