UCSF

ZINC26145597

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 3.28 6.66 -15.72 5 7 0 119 346.441 3
Hi High (pH 8-9.5) 2.48 5.71 -61.67 4 7 -1 123 345.433 4
Mid Mid (pH 6-8) 3.34 5.19 -41.26 6 7 1 122 347.449 3

Activity (Go SEA)

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

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