UCSF

ZINC62319446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 15 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) -0.61 2.62 -32.9 3 5 1 72 206.273 2
Hi High (pH 8-9.5) -0.61 1.36 -15.34 2 5 0 71 205.265 2
Lo Low (pH 4.5-6) -0.61 2.1 -96.47 4 5 2 74 207.281 2

Activity (Go SEA)

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

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