UCSF

ZINC43801471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) -0.17 3.87 -111.9 4 5 2 59 245.367 5
Hi High (pH 8-9.5) -0.17 2.86 -45.91 3 5 1 55 244.359 5
Hi High (pH 8-9.5) 0.01 0.79 -62.72 3 5 1 66 244.359 5

Activity (Go SEA)

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