UCSF

ZINC49570583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 0.62 3.09 -39.27 3 5 1 67 248.306 2
Mid Mid (pH 6-8) 0.62 4.56 -73.57 3 5 1 71 248.306 2
Mid Mid (pH 6-8) 0.62 4.09 -64.42 2 5 0 69 247.298 2

Activity (Go SEA)

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

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