UCSF

ZINC43689623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) 2.02 6.16 -38.81 2 2 1 25 236.36 2
Hi High (pH 8-9.5) 2.02 3.68 -6.79 1 2 0 23 235.352 2

Activity (Go SEA)

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