UCSF

ZINC26167877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 2.71 7.31 -49.83 2 7 1 66 349.455 7
Hi High (pH 8-9.5) 2.71 4.77 -14.3 1 7 0 65 348.447 7

Activity (Go SEA)

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