UCSF

ZINC69792892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 1.69 4.75 -42.25 3 2 1 31 243.44 2
Mid Mid (pH 6-8) 1.69 6.17 -118.32 4 2 2 32 244.448 2
Mid Mid (pH 6-8) 1.69 5.81 -29.39 3 2 1 30 243.44 2

Activity (Go SEA)

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

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