UCSF

ZINC19399364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 8 No

Other Names:

MFCD09816372

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) -0.36 1.47 -38.2 4 2 1 43 129.208 2
Mid Mid (pH 6-8) -0.36 0.7 -45.01 4 2 1 40 129.208 2
Mid Mid (pH 6-8) -0.36 0.89 -3.45 3 2 0 38 128.2 2

Activity (Go SEA)

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

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