UCSF

ZINC26179546

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 22 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) 3.17 7.2 -6.2 0 3 0 36 290.366 2
Lo Low (pH 4.5-6) 3.17 9.67 -55.49 1 3 1 37 291.374 2

Activity (Go SEA)

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