UCSF

ZINC39079348

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) -0.38 -1.96 -36.84 3 3 1 40 145.226 2
Hi High (pH 8-9.5) -0.38 -3.12 -2.79 2 3 0 35 144.218 2
Mid Mid (pH 6-8) -0.38 0.45 -109.68 4 3 2 41 146.234 2

Activity (Go SEA)

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

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