UCSF

ZINC69908170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 16 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) 0.48 3.25 -38.65 3 3 1 34 244.428 2
Mid Mid (pH 6-8) 0.48 4.01 -115.77 4 3 2 35 245.436 2
Mid Mid (pH 6-8) 0.48 1.14 -48.9 3 3 1 34 244.428 2

Activity (Go SEA)

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

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