UCSF

ZINC43805336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 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) 2.88 8.2 -96.69 3 3 2 24 277.456 6
Hi High (pH 8-9.5) 2.88 5.93 -35.92 2 3 1 23 276.448 6
Hi High (pH 8-9.5) 2.88 4.42 -2.13 1 3 0 19 275.44 6
Mid Mid (pH 6-8) 2.88 6.85 -32.78 2 3 1 20 276.448 6
Mid Mid (pH 6-8) 2.88 7.79 -121.71 3 3 2 24 277.456 6

Activity (Go SEA)

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