UCSF

ZINC43253637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.19 2.72 -48.89 4 4 1 60 304.867 7
Hi High (pH 8-9.5) 2.19 2.39 -5.68 3 4 0 58 303.859 7
Hi High (pH 8-9.5) 2.19 3.81 -32.57 4 4 1 60 304.867 7
Lo Low (pH 4.5-6) 2.19 4.12 -114.83 5 4 2 61 305.875 7

Activity (Go SEA)

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