UCSF

ZINC26968241

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 5.14 10.38 -44.86 0 2 -1 40 303.466 2
Lo Low (pH 4.5-6) 5.14 9.26 -5.31 1 2 0 37 304.474 2

Activity (Go SEA)

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