UCSF

ZINC42392353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 2.21 6.53 -95.5 4 3 2 35 297.874 5
Lo Low (pH 4.5-6) 2.21 8.72 -202.96 5 3 3 37 298.882 5

Activity (Go SEA)

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