UCSF

ZINC19204529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 16 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) 0.27 -0.49 -32.6 1 5 -1 83 218.236 1
Hi High (pH 8-9.5) 0.72 -2.93 -115.38 0 5 -2 86 217.228 1
Mid Mid (pH 6-8) 0.27 1.88 -42.33 2 5 0 84 219.244 1
Mid Mid (pH 6-8) 0.72 0.16 -95.85 1 5 -1 87 218.236 1
Mid Mid (pH 6-8) 0.27 -0.27 -33.06 1 5 -1 83 218.236 1
Mid Mid (pH 6-8) 0.27 2.02 -45.64 2 5 0 84 219.244 1

Activity (Go SEA)

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

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