UCSF

ZINC56874851

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 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) -5.08 -17.98 -99.06 13 11 2 215 342.345 3
Hi High (pH 8-9.5) -5.08 -18.7 -10.97 11 11 0 212 340.329 3
Mid Mid (pH 6-8) -5.08 -18.32 -43.68 12 11 1 214 341.337 3
Mid Mid (pH 6-8) -5.08 -18.36 -39.74 12 11 1 214 341.337 3

Activity (Go SEA)

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

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