UCSF

ZINC56874852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 24 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) -5.16 -16.84 -187.69 14 11 3 212 356.396 4
Hi High (pH 8-9.5) -5.16 -18.4 -10.03 11 11 0 204 353.372 4
Mid Mid (pH 6-8) -5.16 -16.88 -39.21 12 11 1 208 354.38 4
Mid Mid (pH 6-8) -5.16 -16.34 -103.97 13 11 2 210 355.388 4
Mid Mid (pH 6-8) -5.16 -17.21 -96.09 13 11 2 210 355.388 4

Activity (Go SEA)

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

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