UCSF

ZINC55253955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 24 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) 3.35 7.72 -34.74 2 4 1 43 330.448 9
Hi High (pH 8-9.5) 3.35 5.47 -7.49 1 4 0 42 329.44 9

Activity (Go SEA)

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