UCSF

ZINC62962800

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) -1.84 -0.27 -121.6 4 6 2 84 272.374 2
Hi High (pH 8-9.5) -1.84 -1.54 -15.75 2 6 0 81 270.358 2
Hi High (pH 8-9.5) -1.84 -0.73 -66.52 3 6 1 83 271.366 2
Hi High (pH 8-9.5) -1.84 -1.07 -39.56 3 6 1 82 271.366 2

Activity (Go SEA)

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

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