UCSF

ZINC20070882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 2.55 7.05 -116.51 4 4 2 50 295.814 4
Hi High (pH 8-9.5) 2.55 3.37 -7.13 2 4 0 44 293.798 4
Hi High (pH 8-9.5) 2.55 4.63 -44.24 3 4 1 49 294.806 4
Mid Mid (pH 6-8) 2.55 5.79 -43.81 3 4 1 46 294.806 4

Activity (Go SEA)

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