UCSF

ZINC42442865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.39 2.27 -47.48 4 4 1 60 258.43 8
Hi High (pH 8-9.5) 1.39 3.86 -31.27 4 4 1 60 258.43 8

Activity (Go SEA)

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