UCSF

ZINC62963089

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) -0.64 -0.17 -56.06 2 6 1 80 277.366 3
Hi High (pH 8-9.5) -0.64 -1.55 -12.59 1 6 0 76 276.358 3

Activity (Go SEA)

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

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