UCSF

ZINC62948524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 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) 1.27 2.79 -32.52 2 3 1 20 226.388 2
Hi High (pH 8-9.5) 1.27 3.03 -33.44 2 3 1 20 226.388 2
Mid Mid (pH 6-8) 1.27 4.28 -87.86 3 3 2 24 227.396 2
Lo Low (pH 4.5-6) 1.27 6.49 -184.27 4 3 3 25 228.404 2
Lo Low (pH 4.5-6) 1.27 5.2 -97.41 3 3 2 21 227.396 2

Activity (Go SEA)

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

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