UCSF

ZINC61361957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 15 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) 0.19 1.81 -51.28 3 4 1 63 225.293 3
Hi High (pH 8-9.5) 0.19 0.82 -8.37 2 4 0 58 224.285 3
Hi High (pH 8-9.5) 0.19 0.78 -10.91 2 4 0 58 224.285 3
Mid Mid (pH 6-8) 0.38 -0.78 -41.07 2 4 0 69 224.285 3
Mid Mid (pH 6-8) 0.38 -0.75 -42.65 2 4 0 69 224.285 3

Activity (Go SEA)

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

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