UCSF

ZINC19813981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.65 4.83 -46.05 4 3 1 57 290.214 4
Hi High (pH 8-9.5) 2.65 4.54 -6.85 3 3 0 55 289.206 4

Activity (Go SEA)

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