UCSF

ZINC22009578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 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) 1.44 2.75 -117.59 6 2 2 55 174.332 3
Hi High (pH 8-9.5) 1.44 2.71 -37.47 5 2 1 54 173.324 3

Activity (Go SEA)

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