UCSF

ZINC53701214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 0.26 3.75 -40.92 2 8 1 85 292.367 6
Hi High (pH 8-9.5) 0.26 2.5 -9.37 1 8 0 80 291.359 6

Activity (Go SEA)

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