UCSF

ZINC44351845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 18 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) 1.07 -1.42 -13.89 2 6 0 88 356.629 5
Hi High (pH 8-9.5) 1.07 -1.27 -44.53 1 6 -1 90 355.621 5

Activity (Go SEA)

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