UCSF

ZINC34602192

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 0.22 6.71 -43.33 4 6 0 106 340.379 7
Hi High (pH 8-9.5) 0.22 6.38 -47.74 3 6 -1 104 339.371 7

Activity (Go SEA)

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