UCSF

ZINC42040876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 11 No

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) -0.21 3.03 -13.47 2 4 0 65 166.209 1
Hi High (pH 8-9.5) -0.21 3.01 -40.41 1 4 -1 64 165.201 1
Mid Mid (pH 6-8) -0.21 2.81 -12.69 2 4 0 65 166.209 1
Mid Mid (pH 6-8) 0.70 2.86 -9.56 3 4 0 68 166.209 1

Activity (Go SEA)

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

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