UCSF

ZINC42470797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.56 4.93 -35.7 2 4 1 46 227.328 6
Hi High (pH 8-9.5) 0.56 3.65 -7.16 1 4 0 42 226.32 6

Activity (Go SEA)

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