UCSF

ZINC29354780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 26 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) 3.62 7.78 -13.34 2 5 0 71 369.421 5
Hi High (pH 8-9.5) 3.44 6.72 -38.74 1 5 -1 77 368.413 5

Activity (Go SEA)

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