UCSF

ZINC41043195

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 2.97 5.16 -7.43 1 3 0 46 270.126 2
Hi High (pH 8-9.5) 3.42 2.54 -44.64 0 3 -1 49 269.118 2

Activity (Go SEA)

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