UCSF

ZINC42447780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 2.90 8.86 -46.91 1 2 1 28 217.764 8
Hi High (pH 8-9.5) 2.90 6.67 -5.35 0 2 0 27 216.756 8

Activity (Go SEA)

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