UCSF

ZINC38124003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 15 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) 1.00 2.58 -33.42 3 3 1 37 213.345 4
Mid Mid (pH 6-8) 1.00 3.66 -97.08 4 3 2 41 214.353 4
Mid Mid (pH 6-8) 1.00 1.46 -33.29 3 3 1 40 213.345 4

Activity (Go SEA)

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

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