UCSF

ZINC68948348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 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) 0.58 4.38 -105.44 4 3 2 41 214.353 6
Mid Mid (pH 6-8) 0.58 2.8 -38.82 3 3 1 40 213.345 6
Mid Mid (pH 6-8) 0.58 3.94 -34.5 3 3 1 40 213.345 6

Activity (Go SEA)

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

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