UCSF

ZINC62969351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

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) 0.85 4.13 -36.62 2 4 1 33 235.355 4
Mid Mid (pH 6-8) 0.85 4.56 -74.8 3 4 2 34 236.363 4
Mid Mid (pH 6-8) 0.85 4.08 -36.82 2 4 1 33 235.355 4

Activity (Go SEA)

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

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