UCSF

ZINC26753106

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 4.58 10.03 -40.03 1 3 1 17 351.599 8
Lo Low (pH 4.5-6) 4.58 12.36 -110.81 2 3 2 18 352.607 8

Activity (Go SEA)

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