UCSF

ZINC71502521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 11.48 -51.4 2 5 1 51 351.474 5
Mid Mid (pH 6-8) 2.47 9.2 -31.13 2 5 1 51 351.474 5
Mid Mid (pH 6-8) 2.47 9.02 -15.32 1 5 0 50 350.466 5

Activity (Go SEA)

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

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