UCSF

ZINC37826861

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.98 2.44 -91.57 4 5 2 62 231.34 4
Hi High (pH 8-9.5) -0.98 2.13 -37.52 3 5 1 60 230.332 4

Activity (Go SEA)

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