UCSF

ZINC49109597

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 30 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) 0.81 -2.76 -12.04 5 9 0 146 418.398 4
Hi High (pH 8-9.5) 0.81 -1.77 -60.02 4 9 -1 149 417.39 4

Activity (Go SEA)

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