UCSF

ZINC49424492

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.14 4.44 -53.06 1 8 -1 116 274.26 6
Hi High (pH 8-9.5) -0.04 5.54 -53.33 1 8 -1 108 274.26 6
Mid Mid (pH 6-8) -0.04 5.7 -14.02 2 8 0 110 275.268 6

Activity (Go SEA)

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

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