UCSF

ZINC42455784

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) -0.69 -0.83 -42.98 4 5 1 69 232.348 8
Hi High (pH 8-9.5) -0.69 0.42 -35.97 4 5 1 69 232.348 8

Activity (Go SEA)

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