UCSF

ZINC41572146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 2.09 3.67 -12.41 1 5 0 54 309.416 3
Hi High (pH 8-9.5) 2.16 2.06 -52.77 0 5 -1 61 308.408 3
Mid Mid (pH 6-8) 2.09 6.43 -51 2 5 1 56 310.424 3

Activity (Go SEA)

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

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