UCSF

ZINC09013409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 24 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) 3.58 8.39 -14.58 1 5 0 60 340.404 6
Hi High (pH 8-9.5) 3.77 7.33 -43.94 0 5 -1 67 339.396 6

Activity (Go SEA)

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