UCSF

ZINC42460361

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) -0.92 1.27 -54.35 3 5 1 74 273.378 6
Hi High (pH 8-9.5) -0.92 0.94 -8.74 2 5 0 73 272.37 6

Activity (Go SEA)

Rings

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