UCSF

ZINC36872187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) -0.92 2.78 -32.8 4 5 1 74 246.29 2
Hi High (pH 8-9.5) -0.92 2.42 -11.46 3 5 0 73 245.282 2
Hi High (pH 8-9.5) -0.92 2.37 -8.48 3 5 0 73 245.282 2
Mid Mid (pH 6-8) -0.92 2.75 -56.94 4 5 1 75 246.29 2

Activity (Go SEA)

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