UCSF

ZINC62525208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 23 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) 0.75 2.3 -45.34 3 7 1 83 341.457 7
Hi High (pH 8-9.5) 0.75 -0.22 -44.1 1 7 -1 84 339.441 7
Mid Mid (pH 6-8) 0.75 -0.08 -14.06 2 7 0 82 340.449 7

Activity (Go SEA)

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

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