UCSF

ZINC42175459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.67 6.6 -6.08 2 3 0 52 272.323 2
Lo Low (pH 4.5-6) 3.67 6.61 -28.31 3 3 1 53 273.331 2

Activity (Go SEA)

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