UCSF

ZINC12857913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 20 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) 1.61 0.21 -56.6 2 6 -1 97 294.356 5
Mid Mid (pH 6-8) 1.61 -0.44 -21.8 3 6 0 95 295.364 5
Mid Mid (pH 6-8) 1.61 -0.81 -69.63 2 6 -1 97 294.356 5

Activity (Go SEA)

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

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