UCSF

ZINC31807922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 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) -1.05 3.3 -122.73 1 9 -2 135 232.159 3
Hi High (pH 8-9.5) -0.98 1.65 -119.57 1 9 -2 143 232.159 3
Mid Mid (pH 6-8) -1.05 3.23 -86.3 2 9 -1 137 233.167 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.