UCSF

ZINC20217576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.85 3.35 -47.26 3 5 1 68 270.378 2
Hi High (pH 8-9.5) 0.85 1.18 -10.25 2 5 0 67 269.37 2

Activity (Go SEA)

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