UCSF

ZINC69775145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 Yes

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) 1.25 3.77 -15.75 1 4 0 54 265.334 5
Mid Mid (pH 6-8) 1.25 6.89 -68.79 1 4 0 58 265.334 5
Mid Mid (pH 6-8) 1.25 6.03 -54.36 2 4 1 55 266.342 5
Mid Mid (pH 6-8) 1.25 4.64 -56.3 0 4 -1 57 264.326 5

Activity (Go SEA)

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

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