UCSF

ZINC54826386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) 0.83 6.93 -60.58 2 4 1 58 205.285 4
Hi High (pH 8-9.5) 0.83 5.77 -11.7 1 4 0 54 204.277 4
Mid Mid (pH 6-8) 0.83 7.45 -114.89 3 4 2 59 206.293 4
Mid Mid (pH 6-8) 0.83 6.29 -38.16 2 4 1 55 205.285 4

Activity (Go SEA)

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

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