UCSF

ZINC25760892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 32 No

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) -0.64 -2.74 -54.69 6 10 -1 184 463.85 2
Hi High (pH 8-9.5) -0.64 -1.75 -105.92 5 10 -2 187 462.842 2
Mid Mid (pH 6-8) -0.64 -0.76 -52.24 7 10 0 186 464.858 2

Activity (Go SEA)

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

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