UCSF

ZINC66166232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 18 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) 0.71 9.03 -27.83 1 2 1 16 235.31 2
Hi High (pH 8-9.5) 0.71 8.61 -18.7 0 2 0 18 234.302 2

Activity (Go SEA)

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