UCSF

ZINC42452551

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) -0.98 1.11 -90.02 5 5 2 73 233.356 9
Hi High (pH 8-9.5) -0.98 -0.95 -48.57 4 5 1 71 232.348 9

Activity (Go SEA)

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