UCSF

ZINC42458848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 11 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) -1.51 -3.69 -44.1 4 4 1 60 163.241 6
Hi High (pH 8-9.5) -1.51 -1.84 -32.01 4 4 1 60 163.241 6
Mid Mid (pH 6-8) -1.51 -0.83 -43.27 4 4 1 64 163.241 6

Activity (Go SEA)

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