UCSF

ZINC49236173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 No

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) 1.38 9 -40.85 0 5 -1 49 250.351 5
Mid Mid (pH 6-8) 1.38 9.51 -54.62 1 5 0 50 251.359 5
Lo Low (pH 4.5-6) 0.65 9.82 -38.69 2 5 1 53 252.367 5

Activity (Go SEA)

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

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