UCSF

ZINC62914191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 19 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) 0.65 5.81 -112.91 0 6 -2 96 262.265 3
Mid Mid (pH 6-8) 0.65 4.8 -54.34 1 6 -1 94 263.273 3
Mid Mid (pH 6-8) 0.65 3.91 -63.44 1 6 -1 98 263.273 3

Activity (Go SEA)

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

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